SCHEMBL4795217

SCHEMBL4795217

Cc1cccc(Oc2ccc(N)cc2C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.43
KEAP1 Q14145 1/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SYK P43405 1/20 0.37
NUDT1 P36639 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4799471 0.84 KDM4E (0.44) KEAP1NOS3NOS2KDM4ELMNA
SCHEMBL4799636 0.84 CYP3A4 (0.41) MAP4K4KEAP1NOS3NOS2KDM4E
SCHEMBL30739301 0.84 MAP4K4 (0.42) MAP4K4KEAP1NOS3NOS2KDM4E
SCHEMBL4795212 0.81 MAP4K4 (0.37) MAP4K4NOS3NOS2LMNASYK
SCHEMBL4798011 0.79 ALDH1A1 (0.37) MAP4K4KEAP1KDM4ELMNAPOLB
SCHEMBL4796549 0.77 KDM4E (0.47) MAP4K4KEAP1KDM4EPOLBALDH1A1
SCHEMBL4797866 0.77 MAP4K4 (0.40) MAP4K4KEAP1KDM4ELMNAPOLB
SCHEMBL30473086 0.76 ALDH1A1 (0.56) KDM4ELMNAPOLBALDH1A1MEN1
SCHEMBL4329985 0.76 ALDH1A1 (0.56) KDM4ELMNAPOLBALDH1A1MEN1
SCHEMBL4799464 0.76 ALOX5AP (0.44) MAP4K4KEAP1KDM4ELMNAPOLB

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 MAP4K4 2125/4885KEAP1 3518/4885NOS3 2975/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 MAP4K4 2447/4885KEAP1 3083/4885NOS3 1693/4885

“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.