SCHEMBL4799636

SCHEMBL4799636

Cc1cccc(Oc2ccc(N)cc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
MAP4K4 O95819 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
CASP6 P55212 1/20 0.37
KEAP1 Q14145 1/20 0.36
TSHR P16473 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NR4A2 P43354 1/20 0.36
S1PR4 O95977 1/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE7A Q13946 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL4795217 0.84 MAP4K4 (0.43) MAP4K4NOS3NOS2KDM4EPOLB
SCHEMBL11687779 0.84 GRM4 (0.48) CYP3A4MAP4K4GRM4TSHRIDO1
SCHEMBL4799471 0.82 KDM4E (0.44) NOS3NOS2KDM4EPOLBLMNA
SCHEMBL4799631 0.82 S1PR4 (0.37) MAP4K4GRM4S1PR4CYP11B1CYP11B2
SCHEMBL30739301 0.82 MAP4K4 (0.42) MAP4K4NOS3NOS2KDM4EPOLB
SCHEMBL4798371 0.81 CYP3A4 (0.40) CYP3A4GRM4KDM4EPOLBLMNA
SCHEMBL10547159 0.79 ALDH1A1 (0.50) MAP4K4KDM4ELMNATSHRHSP90AA1
SCHEMBL4797991 0.79 CYP3A4 (0.41) CYP3A4MAP4K4KDM4EPOLBLMNA
SCHEMBL875878 0.78 TTR (0.45) LMNATSHRMEN1KMT2ACYP11B1
SCHEMBL4796075 0.78 ALOX5AP (0.42) CYP3A4MAP4K4GRM4KDM4EPOLB

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
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
EP-1292591-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2003-03-19 EP disclosed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US disclosed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 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 (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 CYP3A4 743/4885MAP4K4 2125/4885NOS3 2975/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 CYP3A4 881/4885MAP4K4 2447/4885NOS3 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.