SCHEMBL4921602

SCHEMBL4921602

Cc1ccc(-c2ccccc2OCc2ccccc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
PTGER1 P34995 8/20 0.49
PTGER4 P35408 5/20 0.49
PTGER3 P43115 5/20 0.49
PTGER2 P43116 5/20 0.49
BRD4 O60885 3/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ERN1 O75460 1/20 0.45
FEN1 P39748 1/20 0.45
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
DHODH Q02127 1/20 0.44
PIK3CD O00329 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL3786776 0.79 MAPT (0.58) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL10093045 0.79 SYK (0.63) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3789362 0.78 PTGER1 (0.59) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3788152 0.78 APP (0.47) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4922109 0.78 MCL1 (0.51) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL201074 0.76 RXRA (0.70) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL2852071 0.75 MAOB (0.58) MAPTTDP1L3MBTL1
SCHEMBL3787589 0.75 APP (0.54) PTGER1BRD4MAPTMAPK1TDP1
SCHEMBL3781528 0.75 APP (0.47) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL2564573 0.74 RXRA (0.59) MCL1PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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 (1 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 MCL1 175/4885PTGER1 1210/4885PTGER4 2449/4885

“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.