SCHEMBL5554601

SCHEMBL5554601

Cc1cc(Nc2ncnc3ccc(I)cc23)ccc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.54
RIPK2 O43353 1/20 0.54
EPHB2 P29323 1/20 0.54
KDR P35968 1/20 0.52
TEK Q02763 1/20 0.52
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ERBB2 P04626 6/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
ERBB3 P21860 2/20 0.48
ERBB4 Q15303 2/20 0.48
FBP1 P09467 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL2990157 0.88 EGFR (0.62) EGFRRIPK2EPHB2KDRTEK
SCHEMBL27482497 0.88 KDR (0.68) EGFRRIPK2EPHB2KDRTEK
SCHEMBL29887853 0.86 MAPT (0.48) EGFRHTTLMNAMAPTSMN1; SMN2
SCHEMBL24569721 0.86 MAPT (0.48) EGFRHTTLMNAMAPTSMN1; SMN2
SCHEMBL2702250 0.86 ERBB2 (0.66) EGFRHTTLMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL214923 0.85 ERBB2 (0.64) EGFRHTTLMNAMAPTSMN1; SMN2
SCHEMBL2511768 0.84 EGFR (0.53) EGFRRIPK2EPHB2KDRTEK
Hydrochloric Acid SCHEMBL8809727 0.84 KDR (0.70) EGFRRIPK2EPHB2KDRTEK
SCHEMBL18158544 0.83 EGFR (0.77) EGFRRIPK2EPHB2KDRERBB2
SCHEMBL29887945 0.83 ERBB2 (0.47) EGFRHTTLMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed
CN-1182123-C Substituted bicyclic derivatives useful as anticancer agents �Ʒ� 2004-12-29 CN 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
CN-1333758-A Substituted bicyclic derivatives useful as anticancer agents PFIZER PROD INC (US) 2002-01-30 CN 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 (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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 EGFR 265/4885RIPK2 4083/4885EPHB2 3693/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 EGFR 265/4885RIPK2 4083/4885EPHB2 3693/4885

“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.