SCHEMBL4797964

SCHEMBL4797964

Cc1ncncc1Oc1ccc(N)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
EGFR P00533 3/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
EPX P11678 1/20 0.34
LPO P22079 1/20 0.34
PDE7A Q13946 1/20 0.34
SLC6A3 Q01959 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33

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
SCHEMBL4797419 0.85 EGFR (0.40) CYP3A4EGFRKDM4EPOLBLMNA
SCHEMBL4797960 0.82 PTGS1 (0.38) EGFRPTGS1PTGS2LMNASLC6A4
SCHEMBL4800487 0.82 MAPT (0.46) EGFRKDM4ELMNATSHRSLC6A4
SCHEMBL4797458 0.78 ADORA2A (0.43) CYP3A4KDM4ETSHRMEN1KMT2A
SCHEMBL1964539 0.77 CYP3A4 (0.56) CYP3A4POLBLMNATSHRMEN1
SCHEMBL2747551 0.76 PDE7A (0.44) CYP3A4EGFRKDM4EPOLBTSHR
SCHEMBL4797633 0.76 TEAD4 (0.46) CYP3A4KDM4EPOLBTSHRMEN1
SCHEMBL4800468 0.74 CYP3A4 (0.43) CYP3A4PTGS1PTGS2KDM4EPOLB
SCHEMBL4797494 0.74 GRM4 (0.51) CYP3A4KDM4EPOLBTSHRMEN1
SCHEMBL9517127 0.73 CYP3A4 (0.52) CYP3A4POLBLMNATSHRMEN1

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 CYP3A4 743/4885EGFR 119/4885PTGS1 361/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 CYP3A4 881/4885EGFR 164/4885PTGS1 330/4885

“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.