SCHEMBL736393

SCHEMBL736393

COc1cc(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.51
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
BRD4 O60885 5/20 0.49
BRDT Q58F21 1/20 0.49
LRRK2 Q5S007 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TAF1 P21675 2/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
KMT2A Q03164 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3939908 0.93 POLB (0.47) SIRT6POLBLMNAALDH1A1AURKA
SCHEMBL3541959 0.93 POLB (0.47) SIRT6POLBLMNAALDH1A1AURKA
SCHEMBL3544241 0.91 ALDH1A1 (0.61) POLBLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL9964597 0.90 AURKA (0.51) AURKAAURKBBRD4BRDTLRRK2
SCHEMBL15880759 0.88 SIRT6 (0.48) SIRT6POLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4521440 0.88 LMNA (0.58) POLBLMNAALDH1A1BRD4SMN1; SMN2
SCHEMBL1560662 0.88 LMNA (0.49) POLBLMNAALDH1A1AURKAAURKB
SCHEMBL3538444 0.88 MAPT (0.57) POLBLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL736430 0.86 ALDH1A1 (0.53) POLBLMNAALDH1A1BRD4SMN1; SMN2
SCHEMBL738916 0.86 ALDH1A1 (0.53) POLBLMNAALDH1A1BRD4SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202867-B2 Methods of using hydrates and polymorphs of 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8202867-B2 Methods of using hydrates and polymorphs of 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8138341-B2 Intermediate compounds useful for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-20 US disclosed
US-8138341-B2 Intermediate compounds useful for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-20 US disclosed
US-8138373-B2 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-20 US disclosed
US-8138373-B2 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-20 US disclosed
US-8034816-B2 Hydrates and polymorphs of 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-benzamide, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US disclosed
WO-2011113293-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 (CN) 2011-09-22 WO disclosed
US-20100249458-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-20100249412-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-7759485-B2 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7759485-B2 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7728134-B2 Hydrates and polymorphs of 4[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-benzamide, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-01 US disclosed
US-20090318457-A1 Methods of Using hydrates and polymorphs of 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-24 US disclosed
US-20090318457-A1 Methods of Using hydrates and polymorphs of 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-24 US disclosed
US-20090298840-A1 Hydrates and polymorphs of 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-benzamide, process for their manufacture and their use as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-03 US disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 US disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090298840-A1 Hydrates and polymorphs of 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-benzamide, process for their manufacture and their use as medicament CYP3A7, CYP2C8, UGT2B7 SIRT6 886/4885POLB 965/4885LMNA 1318/4885
US-20100249458-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH SIRT6 614/4885POLB 3177/4885LMNA 2318/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH SIRT6 614/4885POLB 3177/4885LMNA 2318/4885
US-20100249412-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH SIRT6 614/4885POLB 3177/4885LMNA 2318/4885
US-20090318457-A1 Methods of Using hydrates and polymorphs of 4-[[(7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)-benzamide CYP3A7, UGT2B7, CYP2C8 SIRT6 931/4885POLB 459/4885LMNA 557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.