SCHEMBL736450

SCHEMBL736450

COc1cc(C(=O)N[C@H]2CC[C@H](N3CCOCC3)CC2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
F10 P00742 2/20 0.51
IGF1R P08069 4/20 0.49
MAPK14 Q16539 1/20 0.46
HTR4 Q13639 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL13881189 1.00 KMT2A (0.57) KMT2AF10IGF1RMAPK14HTR4
SCHEMBL13181455 1.00 KMT2A (0.57) KMT2AF10IGF1RMAPK14HTR4
SCHEMBL13881274 0.92 F10 (0.60) KMT2AF10IGF1RHTR4
SCHEMBL13575481 0.90 F10 (0.52) KMT2AF10IGF1RHTR4CYP2D6
SCHEMBL12893788 0.88 HTR4 (0.48) KMT2AF10IGF1RHTR4CYP2D6
SCHEMBL12894062 0.88 HTR4 (0.48) KMT2AF10IGF1RHTR4CYP2D6
SCHEMBL1559039 0.86 KMT2A (0.54) KMT2AF10HTR4NPC1RAB9A
SCHEMBL12389339 0.86 F10 (0.58) KMT2AF10HTR4CYP2D6CYP2C9
SCHEMBL12893438 0.85 HTR4 (0.52) KMT2AF10HTR4
SCHEMBL12893778 0.85 HTR4 (0.52) KMT2AF10HTR4

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 KMT2A 4420/4885F10 546/4885IGF1R 3097/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH KMT2A 4420/4885F10 546/4885IGF1R 3097/4885
US-20100249412-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH KMT2A 4420/4885F10 546/4885IGF1R 3097/4885

“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.