SCHEMBL26419090

SCHEMBL26419090

Cc1c(C)c(C(C)(C)C)c2[nH]ncc2c1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL17030762 0.70 MAPT (0.40) HTTPTK2ALDH1A1MAPTSLC2A1
SCHEMBL22328049 0.69 METAP2 (0.33) HTTPTK2MAPTSLC2A1IDO1
SCHEMBL22328038 0.69 NOS1 (0.33) HTTPTK2MAPTSLC2A1IDO1
SCHEMBL17030764 0.68 IDO1 (0.43) ALDH1A1IDO1
SCHEMBL26880971 0.67 HTT (0.31) HTTPTK2
SCHEMBL26553314 0.67 KDM4E (0.39) HTTPTK2ALDH1A1
SCHEMBL24854121 0.65 IDO1 (0.40) IDO1
SCHEMBL26522473 0.65 NOS1 (0.33) —
SCHEMBL22328042 0.64 IDO1 (0.36) ALDH1A1PDPK1IDO1
SCHEMBL22328051 0.64 PDPK1 (0.41) ALDH1A1PDPK1CHEK1AURKA

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-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 — — 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-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND KRAS, NRAS, HRAS HTT 2868/4885PTK2 2379/4885ALDH1A1 1157/4885

“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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