SCHEMBL2736376

SCHEMBL2736376

Cc1ccc(Oc2ccc(C(C)C)cc2Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
TPO P07202 1/20 0.42
EPX P11678 1/20 0.42
LPO P22079 1/20 0.42
FFAR1 O14842 1/20 0.40
ERBB2 P04626 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ACACB O00763 3/20 0.38
EGFR P00533 2/20 0.37
ERBB3 P21860 1/20 0.37
ERBB4 Q15303 1/20 0.37
GRM4 Q14833 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FGFR2 P21802 1/20 0.35
NPBWR1 P48145 1/20 0.35

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
SCHEMBL2736374 0.85 ERBB2 (0.46) ERBB2LMNAMEN1KMT2AEGFR
SCHEMBL20172428 0.82 MPO (0.46) MPOTPOEPXLPOERBB2
SCHEMBL159190 0.79 MPO (0.51) MPOTPOEPXLPOERBB2
SCHEMBL4799461 0.79 MPO (0.44) MPOTPOEPXLPOERBB2
SCHEMBL23922346 0.79 FFAR1 (0.56) FFAR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12851586 0.77 CYP2C19 (0.46) MPOTPOEPXLPOFFAR1
SCHEMBL12855074 0.77 ACACB (0.44) MPOTPOEPXLPOACACB
SCHEMBL13026533 0.77 FFAR1 (0.43) FFAR1LMNAMAPTSMN1; SMN2NPBWR1
SCHEMBL875619 0.76 TTR (0.46) MPOTPOEPXLPOFFAR1
SCHEMBL875575 0.76 TTR (0.45) MPOTPOEPXLPOLMNA

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-9090588-B2 Alkyne substituted quinazoline compound and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-07-28 US disclosed
US-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-05-08 US disclosed
US-8088766-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA INC. (US) 2012-01-03 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 (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-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 MPO 4589/4885TPO 3610/4885EPX 856/4885
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR MPO 4866/4885TPO 4683/4885EPX 3530/4885

“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.