SCHEMBL30947585

SCHEMBL30947585

COc1nccc(C(C)(C)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ SYK P43405 2/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ RXRA P19793 6/20 0.33
▸ GRIN1 Q05586 6/20 0.33
▸ GRIN2B Q13224 6/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ FFAR1 O14842 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31

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
SCHEMBL13485368 0.86 HSD17B10 (0.47) HSD17B10SYKCCR1CCR5CCR8
SCHEMBL30595643 0.86 HSD17B10 (0.47) HSD17B10SYKCCR1CCR5CCR8
SCHEMBL16996827 0.84 HRH4 (0.39) HSD17B10SYKCCR1CCR5CCR8
SCHEMBL4883101 0.82 CCR1 (0.36) HSD17B10SYKCCR1CCR5CCR8
SCHEMBL24920392 0.81 CCR1 (0.35) HSD17B10CCR1CCR5CCR8PDPK1
SCHEMBL31708110 0.74 FFAR1 (0.33) CCR1CCR5CCR8PDPK1FFAR1
SCHEMBL31543495 0.74 GABRA1 (0.39) GAAGABRA1GABRG2GABRB3
SCHEMBL20909663 0.74 GRM4 (0.35) —
SCHEMBL1661164 0.74 GABRA1 (0.39) GAAGABRA1GABRG2GABRB3
SCHEMBL27269565 0.72 ADORA2A (0.33) SYK

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-12441725-B2 ISO-citrate dehydrogenase (IDH) inhibitor ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2025-10-14 — — US disclosed
US-20240116917-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2024-04-11 — — 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-20240116917-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR IDH2, IDH3A, IDH1 HSD17B10 55/4885SYK 4004/4885CCR1 4380/4885
US-12441725-B2 ISO-citrate dehydrogenase (IDH) inhibitor IDH2, IDH3A, IDH1 HSD17B10 55/4885SYK 4004/4885CCR1 4380/4885

“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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