SCHEMBL29945002

SCHEMBL29945002

Nc1ccc(OCc2cnccn2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.52
ERBB2 P04626 4/20 0.43
EGFR P00533 4/20 0.43
MRGPRX4 Q96LA9 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GRM5 P41594 1/20 0.37
IDH1 O75874 1/20 0.37
ERBB3 P21860 1/20 0.36
ERBB4 Q15303 1/20 0.36
GAA P10253 1/20 0.36
S1PR4 O95977 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 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
SCHEMBL29944991 1.00 SYK (0.52) SYKERBB2EGFRMRGPRX4RAB9A
SCHEMBL2702047 1.00 SYK (0.52) SYKERBB2EGFRMRGPRX4RAB9A
SCHEMBL20172279 0.82 MEN1 (0.49) SYKERBB2EGFRMRGPRX4RAB9A
SCHEMBL30354916 0.82 SYK (0.43) SYKERBB2EGFRMRGPRX4RAB9A
SCHEMBL30354884 0.81 MAPT (0.53) SYKRAB9ANPC1CYP19A1CYP11B1
SCHEMBL5569189 0.81 MAPT (0.53) SYKRAB9ANPC1CYP19A1CYP11B1
SCHEMBL29638125 0.81 SYK (0.78) SYKERBB2EGFRERBB3ERBB4
SCHEMBL159323 0.81 SYK (0.78) SYKERBB2EGFRERBB3ERBB4
SCHEMBL4411432 0.80 MRGPRX4 (0.48) SYKMRGPRX4NPC1S1PR4CYP3A4
SCHEMBL21835275 0.79 SYK (0.52) SYKERBB2EGFRMRGPRX4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-11-17 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-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR SYK 102/4885ERBB2 1/4885EGFR 3/4885

“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.