SCHEMBL22420088

SCHEMBL22420088

CC(C)(C)CSc1cc(C(C)(C)C)[nH]n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL12263950 0.69 STK25 (0.30) —
SCHEMBL12263968 0.68 — —
SCHEMBL18857481 0.68 — —
SCHEMBL10065610 0.66 GFER (0.37) —
SCHEMBL21719711 0.64 GFER (0.34) —
SCHEMBL12298687 0.64 STK25 (0.35) —
SCHEMBL21719718 0.63 KDM5B (0.33) —
SCHEMBL20681841 0.63 MAPK14 (0.38) —
SCHEMBL1531104 0.63 MAPK14 (0.38) CYP1A2
SCHEMBL21719245 0.63 ATM (0.39) —

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-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 — — 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-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 CYP1A2 20/4885CYP2E1 84/4885CYP3A4 6/4885

“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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