SCHEMBL737342

SCHEMBL737342

COc1cc(C(=O)N[C@H]2CC[C@H](N3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.43
KMT2A Q03164 3/20 0.43
HTR4 Q13639 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
F10 P00742 1/20 0.41
MAPK14 Q16539 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL14110362 1.00 PDE7A (0.43) PDE7AKMT2AHTR4MEN1NPC1
SCHEMBL736440 0.85 POLB (0.46) PDE7AKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL14110413 0.85 POLB (0.46) PDE7AKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL13575481 0.85 F10 (0.52) KMT2AHTR4CYP2D6CYP2C9F10
SCHEMBL13881189 0.84 KMT2A (0.57) KMT2AHTR4NPC1RAB9AALDH1A1
SCHEMBL736450 0.84 KMT2A (0.57) KMT2AHTR4NPC1RAB9AALDH1A1
SCHEMBL13181455 0.84 KMT2A (0.57) KMT2AHTR4NPC1RAB9AALDH1A1
SCHEMBL2546256 0.84 MAPK14 (0.52) KMT2AHTR4MEN1ALDH1A1MAPK14
SCHEMBL12893788 0.83 HTR4 (0.48) KMT2AHTR4ALDH1A1CYP2D6CYP2C9
SCHEMBL12894062 0.83 HTR4 (0.48) KMT2AHTR4ALDH1A1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100249458-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 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-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-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 (3 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-20100249458-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH PDE7A 3335/4885KMT2A 4420/4885HTR4 2316/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH PDE7A 3335/4885KMT2A 4420/4885HTR4 2316/4885
US-20100249412-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH PDE7A 3335/4885KMT2A 4420/4885HTR4 2316/4885

“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.