SCHEMBL25136362

SCHEMBL25136362

O=C(Nc1cccc(F)c1)c1cccc(-n2ccnc2)n1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 14/20 0.72
▸ GAA P10253 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CTSA P10619 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL25136016 0.89 CD38 (0.67) CD38CYP1A2KMT2ACYP3A4CYP2D6
SCHEMBL25135984 0.88 CD38 (0.69) CD38GAACYP1A2KMT2ACYP3A4
SCHEMBL25135864 0.87 CD38 (0.56) CD38GAACYP1A2KMT2ACYP3A4
SCHEMBL25135679 0.87 POLB (0.59) CD38GAACYP1A2KMT2ACYP3A4
SCHEMBL25135562 0.86 CD38 (0.61) CD38GAACYP1A2KMT2ACYP3A4
SCHEMBL25135819 0.86 CD38 (0.72) CD38GAAKMT2ACTSASMN1; SMN2
SCHEMBL30363751 0.86 CD38 (0.55) CD38GAACYP1A2KMT2ACYP2C19
SCHEMBL25135823 0.86 CD38 (0.55) CD38GAACYP1A2KMT2ACYP2C19
SCHEMBL30040575 0.85 CD38 (0.69) CD38GAACYP1A2KMT2ACYP3A4
SCHEMBL25135998 0.84 CD38 (0.53) CD38GAACYP1A2KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 — — US disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 — — 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT CD38 1/4885GAA 937/4885CYP1A2 1793/4885

“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.

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