SCHEMBL2736367

SCHEMBL2736367

Cc1cccc(Cn2ccc3cc(C(C)C)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
PLAU P00749 2/20 0.46
PLG P00747 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPT P10636 3/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HTR6 P50406 1/20 0.41
EPHX2 P34913 1/20 0.39
EED O75530 1/20 0.39
CASR P41180 1/20 0.39

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
SCHEMBL23844439 0.86 APP (0.50) PLAUPLGNPC1HSP90AA1HTR6
SCHEMBL30364651 0.81 PLAU (0.57) SLC2A1PLAUPLGHTR2AHTR2C
SCHEMBL23902663 0.81 PLAU (0.57) SLC2A1PLAUPLGHTR2AHTR2C
SCHEMBL6085890 0.80 ALDH1A1 (0.56) SLC2A1PLAUMAPTCYP11B1CYP11B2
SCHEMBL11949592 0.78 SLC2A1 (0.47) SLC2A1PLAUPLGHTR2AHTR2C
SCHEMBL15701652 0.78 EPHX2 (0.46) PLAUPLGHTR2AHTR2CTHRA
SCHEMBL28580033 0.76 PLAU (0.56) PLAUPLGEPHX2
SCHEMBL30185512 0.76 PLAU (0.56) PLAUPLGEPHX2
SCHEMBL9583627 0.75 HTR2A (0.54) PLAUPLGHTR2AHTR2CNPC1
SCHEMBL11949599 0.75 DPP4 (0.53) SLC2A1PLAUPLGHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088766-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA INC. (US) 2012-01-03 US disclosed
US-7488823-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. (US) 2009-02-10 US disclosed
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-01-08 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 (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-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR SLC2A1 550/4885PLAU 3932/4885PLG 2505/4885

“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.