SCHEMBL736448

SCHEMBL736448

COc1cc(C(=O)NC2CCC(=O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX12 P18054 1/20 0.47
PDE5A O76074 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL758810 0.90 KMT2A (0.43) POLBALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL736430 0.87 ALDH1A1 (0.53) POLBALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL738916 0.87 ALDH1A1 (0.53) POLBALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL19174810 0.87 KMT2A (0.55) POLBALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL736393 0.85 SIRT6 (0.52) POLBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL15880759 0.82 SIRT6 (0.48) POLBALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL3538444 0.82 MAPT (0.57) POLBALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL15493975 0.82 CYP3A4 (0.53) LMNASMN1; SMN2CYP3A4TSHRKMT2A
SCHEMBL13942234 0.82 LRRK2 (0.48) POLBALDH1A1LMNAALOX12TSHR
SCHEMBL3939908 0.81 POLB (0.47) POLBALDH1A1LMNASMN1; SMN2PDE5A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664222-B2 Specific salt, anhydrous and crystalline form of a dihydropteridione derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-04 US disclosed
US-8329695-B2 Crystalline form of the free base N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7r)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-11 US disclosed
US-20120214995-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-8188086-B2 Specific salt, anhydrous and crystalline form of a dihydropteridione derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-29 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-20100280037-A1 CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US 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-20090030004-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE ONCOHEROES BIOSCIENCES INC. 2009-01-29 US disclosed
US-7439358-B2 Specific salt, anhydrous and crystalline form of a dihydropteridione derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 US disclosed
US-20070203146-A1 N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide ONCOHEROES BIOSCIENCES INC. 2007-08-30 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 (7 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-20120214995-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE QDPR, REN, DHPS POLB 2541/4885ALDH1A1 1736/4885LMNA 3427/4885
US-20100280037-A1 CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE QDPR, DHPS, DPYD POLB 1660/4885ALDH1A1 1619/4885LMNA 1375/4885
US-20070203146-A1 N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide DHPS, PKD1, AQP4 POLB 1205/4885ALDH1A1 1329/4885LMNA 2652/4885
US-20100249458-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH POLB 3177/4885ALDH1A1 731/4885LMNA 2318/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH POLB 3177/4885ALDH1A1 731/4885LMNA 2318/4885
US-20100249412-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH POLB 3177/4885ALDH1A1 731/4885LMNA 2318/4885
US-20090030004-A1 SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE QDPR, REN, DHPS POLB 2541/4885ALDH1A1 1736/4885LMNA 3427/4885

“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.