SCHEMBL27186231

SCHEMBL27186231

C[C@@H](NC(=O)c1cn(C2CCOCC2)c(=O)c2cc[nH]c12)c1cccc2c1CCC2(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 13/20 0.38
▸ SOS1 Q07889 13/20 0.38
▸ P2RX7 Q99572 3/20 0.32
▸ IL1B P01584 2/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ BRD9 Q9H8M2 2/20 0.30
▸ TAF1 P21675 1/20 0.30
▸ CECR2 Q9BXF3 1/20 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
SCHEMBL27186233 1.00 KRAS (0.38) KRASSOS1P2RX7IL1BCHRM2
SCHEMBL27186885 0.85 KRAS (0.40) KRASSOS1P2RX7IL1B
SCHEMBL27186887 0.85 KRAS (0.40) KRASSOS1P2RX7IL1B
SCHEMBL27186376 0.84 SOS1 (0.46) KRASSOS1
SCHEMBL27186378 0.84 SOS1 (0.46) KRASSOS1
SCHEMBL29844104 0.84 SOS1 (0.46) KRASSOS1
SCHEMBL27186280 0.83 KRAS (0.47) KRASSOS1
SCHEMBL27186284 0.83 KRAS (0.47) KRASSOS1
SCHEMBL29168348 0.82 P2RX7 (0.34) P2RX7IL1B
SCHEMBL27186257 0.79 KRAS (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109887-A1 NOVEL SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-04-04 — — US disclosed
WO-2022187266-A1 NOVEL SUBSTITUTED BICYCLI AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2022-09-09 — — 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-20240109887-A1 NOVEL SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AS SOS1 INHIBITORS SOS1, SOS2, KSR1 KRAS 10/4885SOS1 1/4885P2RX7 2001/4885

“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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