SCHEMBL4795754

SCHEMBL4795754

Cc1cc(Oc2ccc(N)cc2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.48
ALDH1A1 P00352 6/20 0.48
TEAD4 Q15561 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.44
MAPK14 Q16539 1/20 0.44
TNNI3K Q59H18 1/20 0.44
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL4795745 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1MAPTCASP3
SCHEMBL16202043 0.82 MAPK1 (0.50) SMN1; SMN2ALDH1A1TDP1CASP3SENP8
SCHEMBL16202046 0.82 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1POLBCASP3
SCHEMBL1892882 0.81 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TEAD4TDP1POLB
SCHEMBL753276 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1TDP1MAPTCASP3
SCHEMBL4800529 0.81 KDM4E (0.42) SMN1; SMN2ALDH1A1TDP1POLBMAPT
SCHEMBL10055730 0.79 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TEAD4TDP1POLB
SCHEMBL1457569 0.79 MEN1 (0.47) SMN1; SMN2ALDH1A1TEAD4TDP1POLB
SCHEMBL3171720 0.79 MEN1 (0.49) SMN1; SMN2ALDH1A1TEAD4TDP1POLB
SCHEMBL4797866 0.78 MAP4K4 (0.40) SMN1; SMN2ALDH1A1POLBMAPTBRAF

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-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
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US 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 SMN1; SMN2 1107/4885ALDH1A1 296/4885TEAD4 1862/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 SMN1; SMN2 915/4885ALDH1A1 342/4885TEAD4 2449/4885

“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.