SCHEMBL4797703

SCHEMBL4797703

Cc1cc(N)ccc1Oc1ccnnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CASP1 P29466 3/20 0.37
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 5/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
ERBB3 P21860 1/20 0.32
ERBB4 Q15303 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL4800435 0.83 MAPT (0.45) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL30354890 0.81 ALDH1A1 (0.42) ALDH1A1CASP1PDE10AKDM4ELMNA
SCHEMBL4797567 0.81 ALDH1A1 (0.42) ALDH1A1CASP1PDE10AKDM4ELMNA
SCHEMBL4800362 0.81 MPO (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4797693 0.81 CYP1A2 (0.31) ALDH1A1SMN1; SMN2EGFRERBB2ERBB3
SCHEMBL4798307 0.79 ALDH1A1 (0.37) ALDH1A1CASP1PDE10AKDM4ELMNA
SCHEMBL29887935 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL1446655 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29764012 0.79 ALDH1A1 (0.50) ALDH1A1CASP1PDE10AKDM4ELMNA
SCHEMBL2992329 0.79 ALDH1A1 (0.52) ALDH1A1CASP1PDE10AKDM4ELMNA

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-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US claimed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US claimed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP claimed
EP-1292591-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2003-03-19 EP claimed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 WO claimed
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US disclosed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 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 (2 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-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ALDH1A1 296/4885CASP1 238/4885PDE10A 1610/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ALDH1A1 342/4885CASP1 118/4885PDE10A 1763/4885

“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.