SCHEMBL8408288

SCHEMBL8408288

CN(C)Cc1ccc(-c2ccc3c(N4CCOCC4)nc(Cl)nc3c2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 3/20 0.41
PRKDC P78527 4/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CA P42336 3/20 0.38
GAK O14976 1/20 0.38
CYP2A6 P11509 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL2731944 0.89 SMN1; SMN2 (0.51) SMN1; SMN2PRKDCALDH1A1KDM4EGAA
SCHEMBL8408289 0.86 PI4KB (0.48) SMN1; SMN2TSHRPRKDCALDH1A1ALOX15
SCHEMBL2726605 0.84 SMN1; SMN2 (0.47) SMN1; SMN2PRKDCALDH1A1KDM4EGAA
SCHEMBL2726476 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL2726041 0.84 SMN1; SMN2 (0.46) SMN1; SMN2PRKDCALDH1A1KDM4EGAA
SCHEMBL8408334 0.81 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8408337 0.81 SMN1; SMN2 (0.47) SMN1; SMN2PRKDCALDH1A1KDM4EGAA
SCHEMBL2726603 0.80 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL2726036 0.80 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2TSHRCYP2C19PRKDC
SCHEMBL8408290 0.80 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2TSHRCYP2C19PRKDC

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 10 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-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-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-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2012-05-24 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 (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 1256/4885CYP1A2 1891/4885CYP3A4 1626/4885
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885CYP1A2 1891/4885CYP3A4 1626/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885CYP1A2 1891/4885CYP3A4 1626/4885
US-20120129851-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 SMN1; SMN2 1256/4885CYP1A2 1891/4885CYP3A4 1626/4885

“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.