SCHEMBL16932989

SCHEMBL16932989

CC(C)Nc1cnc2[nH]cc(C=CC(N)=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 18/20 0.47
▸ TAB1 Q15750 18/20 0.47
▸ BTK Q06187 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
SCHEMBL16932988 1.00 MAP3K7 (0.47) MAP3K7TAB1BTK
SCHEMBL4346955 0.86 MAP3K7 (0.43) MAP3K7TAB1BTK
SCHEMBL4346952 0.86 MAP3K7 (0.43) MAP3K7TAB1BTK
SCHEMBL4350414 0.86 MAP3K7 (0.46) MAP3K7TAB1BTK
SCHEMBL4350420 0.86 MAP3K7 (0.46) MAP3K7TAB1BTK
SCHEMBL4346854 0.83 MAP3K7 (0.47) MAP3K7TAB1BTK
SCHEMBL4346848 0.83 MAP3K7 (0.47) MAP3K7TAB1BTK
SCHEMBL18238211 0.80 IP6K1 (0.40) MAP3K7TAB1
SCHEMBL16949418 0.80 IP6K1 (0.40) MAP3K7TAB1
SCHEMBL18238176 0.80 MAP3K7 (0.48) MAP3K7TAB1

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-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 — — 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-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES TPMT, MALT1, IRAK4 MAP3K7 152/4885TAB1 861/4885BTK 579/4885

“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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