SCHEMBL20114623

SCHEMBL20114623

Cc1ccc2cn[nH]c2c1C(C)(C)CCc1cc2cn[nH]c2c(C(C)(C)CCCCC(C)(C)c2ccc3cn[nH]c3c2)c1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.38
▸ FGFR1 P11362 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ DDR2 Q16832 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
SCHEMBL19513331 0.69 METAP2 (0.57) METAP2FGFR1MAPTKDM4EALDH1A1
SCHEMBL19304131 0.69 METAP2 (0.47) METAP2FGFR1MAPTKDM4E
SCHEMBL19115364 0.68 MAPT (0.51) FGFR1MAPTKDM4EALDH1A1TGFBR1
SCHEMBL13267320 0.67 METAP2 (0.60) METAP2FGFR1MAPTKDM4EALDH1A1
SCHEMBL84508 0.66 METAP2 (0.68) METAP2FGFR1MAPTKDM4EALDH1A1
SCHEMBL17030767 0.65 MAPT (0.58) METAP2FGFR1MAPTKDM4EALDH1A1
SCHEMBL21363598 0.63 METAP2 (0.43) METAP2FGFR1MAPTKDM4EIDH1
SCHEMBL21891466 0.63 MAPT (0.36) MAPTALDH1A1
SCHEMBL20272864 0.62 METAP2 (0.50) METAP2FGFR1MAPTKDM4EALDH1A1
SCHEMBL13930937 0.61 METAP2 (0.60) METAP2FGFR1MAPTKDM4EALDH1A1

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-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 — — US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 — — 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 (2 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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS METAP2 2901/4885FGFR1 1538/4885MAPT 761/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS METAP2 2875/4885FGFR1 1967/4885MAPT 559/4885

“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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