SCHEMBL16144129

SCHEMBL16144129

CCOC(=O)/C=C/CN1CCN(C(=O)CNc2cc(I)c(Cl)cc2OC)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.46
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34

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
SCHEMBL16112967 0.89 KRAS (0.49) KRASGAAMAPTKDM4EKMT2A
SCHEMBL16112968 0.89 KRAS (0.49) KRASGAAMAPTKDM4EKMT2A
SCHEMBL16144079 0.88 KRAS (0.48) KRASGAAMAPTKDM4EKMT2A
SCHEMBL22268200 0.81 GAA (0.43) GAAMAPTKDM4EKMT2AMEN1
SCHEMBL16093858 0.80 KRAS (0.55) KRASGAAMAPTKDM4EKMT2A
SCHEMBL15337910 0.79 KRAS (0.72) KRASGAA
SCHEMBL16093845 0.77 KRAS (0.52) KRASGAAMAPTKDM4EKMT2A
SCHEMBL16117732 0.77 KRAS (0.55) KRASGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL30642270 0.75 KRAS (0.50) KRASGAAKMT2AMEN1ALDH1A1
SCHEMBL16122826 0.75 KRAS (0.50) KRASGAAKMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723753-B2 Ras inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-28 — — US disclosed
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 — — US disclosed
WO-2014160200-A9 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-11-27 — — WO disclosed
WO-2014160200-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-10-02 — — WO 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-20160046661-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, RASGRP1 KRAS 1/4885GAA 2130/4885MAPT 4435/4885
US-10723753-B2 Ras inhibitors and uses thereof KRAS, NRAS, RASGRP1 KRAS 1/4885GAA 2130/4885MAPT 4435/4885

“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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