SCHEMBL22720095

SCHEMBL22720095

C=CC(=O)N1CCN(c2nc(OCC3(N(C)C)CC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CC1CC#N

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.76
▸ SOS1 Q07889 1/20 0.58

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
SCHEMBL22720093 1.00 KRAS (0.76) KRASSOS1
SCHEMBL22967714 0.93 KRAS (0.73) KRASSOS1
SCHEMBL23282062 0.93 KRAS (0.73) KRASSOS1
SCHEMBL23282077 0.93 KRAS (0.76) KRASSOS1
SCHEMBL23282037 0.93 KRAS (0.76) KRASSOS1
SCHEMBL22725420 0.93 KRAS (0.70) KRASSOS1
SCHEMBL29239874 0.92 KRAS (0.76) KRASSOS1
SCHEMBL29581987 0.92 KRAS (0.76) KRASSOS1
SCHEMBL29239870 0.92 KRAS (0.76) KRASSOS1
SCHEMBL22720048 0.91 KRAS (0.74) KRASSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 — — US disclosed
WO-2021023247-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 — — WO disclosed
WO-2020238791-A1 HYDROPYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-12-03 — — 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 (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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC KRAS 1/4885SOS1 102/4885

“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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