SCHEMBL3718191

SCHEMBL3718191

Cc1ccc2c(N3CCOCC3)nc(Cl)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
HRH4 Q9H3N8 1/20 0.51
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 3/20 0.48
ALOX15 P16050 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
PRKDC P78527 2/20 0.47
KMT2A Q03164 4/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 2/20 0.45
CASP7 P55210 2/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL17565791 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4EMAPK1HPGD
SCHEMBL9429952 0.83 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EMAPK1HPGD
SCHEMBL5503906 0.83 HRH4 (0.51) SMN1; SMN2HRH4ALDH1A1HSD17B10KMT2A
SCHEMBL2726311 0.83 SMN1; SMN2 (0.59) SMN1; SMN2HRH4ALDH1A1KDM4EMAPK1
Hydrochloric Acid SCHEMBL4020304 0.82 HRH4 (0.50) SMN1; SMN2HRH4ALDH1A1HSD17B10KMT2A
SCHEMBL4792397 0.82 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4EMAPK1ALOX15
SCHEMBL5503125 0.81 HRH4 (0.52) SMN1; SMN2HRH4ALDH1A1ALOX15KMT2A
SCHEMBL2726524 0.81 SMN1; SMN2 (0.56) SMN1; SMN2HRH4ALDH1A1KDM4EMAPK1
SCHEMBL2726476 0.80 SMN1; SMN2 (0.53) SMN1; SMN2HRH4ALDH1A1KDM4EMAPK1
SCHEMBL2420833 0.80 PRKDC (0.73) SMN1; SMN2ALDH1A1KDM4EMAPK1PRKDC

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 8 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-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-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-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-2010120994-A2 UREIDOARYL-AND CARBAMOYLARYL-MORPHOLINO- PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH LLC (US) 2010-10-21 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 SMN1; SMN2 1256/4885HRH4 1423/4885ALDH1A1 3589/4885
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885HRH4 1423/4885ALDH1A1 3589/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885HRH4 1423/4885ALDH1A1 3589/4885
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885HRH4 1423/4885ALDH1A1 3589/4885

“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.