SCHEMBL22880771

SCHEMBL22880771

CC(C)c1nc(CC(C)c2cc(O)ccc2Cl)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ESR1 P03372 3/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.33
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ PNMT P11086 1/20 0.30
▸ HTR1A P08908 2/20 0.30
▸ ADRA2A P08913 2/20 0.30
▸ ADRA2B P18089 2/20 0.30
▸ ADRA2C P18825 2/20 0.30
▸ HTR2A P28223 2/20 0.30
▸ HTR2C P28335 2/20 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
SCHEMBL24486674 0.80 P2RX7 (0.33) HTR2A
SCHEMBL26061295 0.74 KDM4E (0.33) HSD17B10PNMT
SCHEMBL1494133 0.71 CYP1A2 (0.53) MEN1CYP1A2CYP3A4KMT2AESR1
SCHEMBL23025662 0.70 — —
SCHEMBL24199566 0.69 TSHR (0.36) HTR1AADRA2AADRA2BHTR2AHTR2C
SCHEMBL22222003 0.64 ALDH1A1 (0.33) —
SCHEMBL24486645 0.62 LMNA (0.32) HTR2A
SCHEMBL24654606 0.62 MEN1 (0.38) MEN1CYP1A2CYP3A4KMT2AESR1
SCHEMBL15077057 0.62 CRHBP (0.39) MEN1CYP1A2CYP3A4KMT2APNMT
SCHEMBL20780323 0.60 GLP1R (0.34) PNMTHTR2AHTR2C

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-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 — — 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-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MEN1 296/4885CYP1A2 4727/4885CYP3A4 4739/4885

“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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