SCHEMBL4965087

SCHEMBL4965087

COC(=O)/C=C/c1ccc2ncnc(Oc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.54
IP6K3 Q96PC2 2/20 0.54
IP6K2 Q9UHH9 2/20 0.54
CSF1R P07333 4/20 0.49
KDR P35968 6/20 0.48
BRAF P15056 3/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TTR P02766 1/20 0.44
APP P05067 1/20 0.44
RAF1 P04049 2/20 0.43
MAP3K7 O43318 2/20 0.43
TAB1 Q15750 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ESR1 P03372 1/20 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
SCHEMBL4965096 1.00 IP6K1 (0.54) IP6K1IP6K3IP6K2CSF1RKDR
SCHEMBL5552423 0.79 CSF1R (0.45) IP6K1IP6K3IP6K2CSF1RKDR
SCHEMBL5552420 0.79 CSF1R (0.45) IP6K1IP6K3IP6K2CSF1RKDR
SCHEMBL5554548 0.79 EGFR (0.43) IP6K1IP6K3IP6K2CSF1RKDR
SCHEMBL5554550 0.79 EGFR (0.43) IP6K1IP6K3IP6K2CSF1RKDR
SCHEMBL2774221 0.74 KMT2A (0.65) KDM4EKMT2ASMN1; SMN2TTRAPP
SCHEMBL2774223 0.74 KMT2A (0.65) KDM4EKMT2ASMN1; SMN2TTRAPP
SCHEMBL7086909 0.73 ALOX5 (0.66) KDM4EKMT2ASMN1; SMN2TTRAPP
SCHEMBL7086903 0.73 ALOX5 (0.66) KDM4EKMT2ASMN1; SMN2TTRAPP
SCHEMBL7673022 0.73 KDM4E (0.62) IP6K1IP6K3IP6K2KDM4EKMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896451-A2 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2008-03-12 EP disclosed
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed
US-20070072885-A1 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2007-03-29 US disclosed
WO-2006129168-A2 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2006-12-07 WO disclosed
EP-1575592-A1 4-ANILINO QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-21 EP disclosed
US-20040254204-A1 Bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2004-12-16 US disclosed
WO-2004054585-A1 4-ANILINO QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-01 WO disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
EP-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 EP disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 US disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 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 (4 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 IP6K1 3038/4885IP6K3 2408/4885IP6K2 3683/4885
US-20070072885-A1 BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH UGT1A1, CCNA1, UGT1A3 IP6K1 3031/4885IP6K3 2969/4885IP6K2 3428/4885
US-20040254204-A1 Bicyclic derivatives for the treatment of abnormal cell growth UGT1A1, UGT1A3, UGT2B17 IP6K1 2031/4885IP6K3 2065/4885IP6K2 2410/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 IP6K1 3038/4885IP6K3 2408/4885IP6K2 3683/4885

“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.