SCHEMBL4113301

SCHEMBL4113301

CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.48
GBA1 P04062 1/20 0.48
LMNA P02545 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 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
SCHEMBL642860 0.85 ALDH1A1 (0.59) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL22545672 0.84 SMN1; SMN2 (0.63) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2728159 0.83 NPC1 (0.65) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL2725208 0.82 PIK3CA (0.54) MAOAMAOBMEN1KMT2ARAB9A
SCHEMBL8993463 0.81 MAOA (0.83) MAOAMAOBHTTSMN1; SMN2MEN1
SCHEMBL2727648 0.81 SMN1; SMN2 (0.49) MAOBHTTSMN1; SMN2MEN1KMT2A
SCHEMBL4921279 0.80 NPC1 (0.70) MAOAMAOBHTTSMN1; SMN2MEN1
SCHEMBL6606973 0.80 ALDH1A1 (0.53) HTTSMN1; SMN2RAB9ACA1CA2
SCHEMBL2725462 0.78 RAB9A (0.46) HTTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL15124764 0.78 HTT (0.53) HTTSMN1; SMN2KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 US disclosed
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 US disclosed
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 US disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 US disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 US disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 US disclosed
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 US disclosed
WO-2012058671-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2012-05-03 WO 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 (4 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-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 MAOA 3110/4885MAOB 2663/4885HTT 2875/4885
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 MAOA 3110/4885MAOB 2663/4885HTT 2875/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 MAOA 3110/4885MAOB 2663/4885HTT 2875/4885
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 MAOA 3110/4885MAOB 2663/4885HTT 2875/4885

“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.