SCHEMBL29907359

SCHEMBL29907359

Cc1ccnc(C(C)C)c1-n1c(=O)c2c(c3cc(F)c(-c4c(C)ccc5[nH]ncc45)nc31)N1CCNC[C@@H]1CO2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP3A7 P24462 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
SOS1 Q07889 1/20 0.38

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
SCHEMBL27138408 0.88 KRAS (0.44) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL30996224 0.86 KRAS (0.53) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL27139506 0.86 KRAS (0.53) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL29907640 0.85 KRAS (0.42) KRASCYP3A4CYP2D6CYP3A5CYP3A7
SCHEMBL29907445 0.84 KRAS (0.45) KRASSOS1
SCHEMBL27218583 0.84 KRAS (0.45) KRASSOS1
SCHEMBL30725816 0.84 KRAS (0.45) KRASSOS1
SCHEMBL24692997 0.83 KRAS (0.60) KRAS
SCHEMBL29828781 0.81 KRAS (0.48) KRAS
SCHEMBL27218572 0.81 KRAS (0.48) KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4053118-B1 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2024-10-09 EP disclosed
US-12054497-B2 Substituted heterocyclic fused cyclic compound, preparation method therefor and pharmaceutical use thereof Genfleet Therapeutics (Shanghai)Inc. (CN) 2024-08-06 US disclosed
US-20240158417-A1 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-05-16 US disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
US-20230084095-A1 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-03-16 US disclosed
EP-4053118-A1 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-09-07 EP 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 (3 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-20230084095-A1 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885CYP3A4 305/4885CYP2D6 164/4885
US-20240158417-A1 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885CYP3A4 305/4885CYP2D6 164/4885
US-12054497-B2 Substituted heterocyclic fused cyclic compound, preparation method therefor and pharmaceutical use thereof KRAS, NRAS, HRAS KRAS 1/4885CYP3A4 305/4885CYP2D6 164/4885

“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.