SCHEMBL5554548

SCHEMBL5554548

OC/C=C/c1ccc2ncnc(Oc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
CSF1R P07333 7/20 0.43
BRAF P15056 2/20 0.41
RAF1 P04049 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPA1 O75762 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 3/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
KDM1A O60341 1/20 0.39
PDGFRB P09619 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
IP6K1 Q92551 1/20 0.38

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
SCHEMBL5554550 1.00 EGFR (0.43) EGFRCSF1RBRAFRAF1NPC1
SCHEMBL5552420 0.83 CSF1R (0.45) EGFRCSF1RBRAFRAF1KDR
SCHEMBL5552423 0.83 CSF1R (0.45) EGFRCSF1RBRAFRAF1KDR
SCHEMBL5554493 0.81 KDR (0.60) EGFRBRAFTSHRMEN1KMT2A
SCHEMBL5554489 0.81 KDR (0.60) EGFRBRAFTSHRMEN1KMT2A
SCHEMBL4965096 0.79 IP6K1 (0.54) CSF1RBRAFRAF1KMT2AKDR
SCHEMBL4965087 0.79 IP6K1 (0.54) CSF1RBRAFRAF1KMT2AKDR
SCHEMBL2748394 0.75 TRPA1 (0.37) EGFRCSF1RBRAFNPC1TSHR
SCHEMBL2748398 0.75 TRPA1 (0.37) EGFRCSF1RBRAFNPC1TSHR
SCHEMBL6300452 0.73 BRAF (0.53) EGFRCSF1RBRAFRAF1NPC1

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 7 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
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 (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 265/4885CSF1R 1919/4885BRAF 607/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 EGFR 265/4885CSF1R 1919/4885BRAF 607/4885

“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.