SCHEMBL30914204

SCHEMBL30914204

Cc1c(C#N)ccc2c1ncn2CC(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CTSC P53634 1/20 0.40
▸ CTSZ Q9UBR2 1/20 0.40
▸ KLK4 Q9Y5K2 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TGFBR1 P36897 12/20 0.37
▸ AR P10275 3/20 0.35
▸ CYP17A1 P05093 1/20 0.33
▸ PRPS1 P60891 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL30914197 0.82 KDM4E (0.41) NPC1CTSLCTSSRAB9ACTSC
SCHEMBL30914201 0.77 MEN1 (0.46) NPC1CTSLCTSSRAB9AKDM4E
SCHEMBL31203106 0.75 POLB (0.37) NPC1CTSLELANECMA1CTSS
SCHEMBL31203032 0.74 KDM4E (0.37) KDM4EHIF1ANPSR1
SCHEMBL21555711 0.64 ADORA2A (0.36) NPC1CTSLELANECMA1CTSS
SCHEMBL14723302 0.63 CYP2C19 (0.47) NPC1RAB9AKDM4EMAPK1
SCHEMBL30899625 0.62 PRPS1 (0.43) TGFBR1PRPS1
SCHEMBL15758260 0.61 FFAR1 (0.42) AR
SCHEMBL31748263 0.61 TDP1 (0.63) MAPK1
SCHEMBL8466888 0.61 PRPS1 (0.34) TGFBR1PRPS1MAPK1

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-12421218-B2 Substituted pyrazine-carboxamide derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-09-23 — — US disclosed
US-20240417394-A1 NOVEL SUBSTITUTED PYRAZINE-CARBOXAMIDE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2024-12-19 — — US disclosed
US-20240182453-A1 NOVEL SUBSTITUTED PYRAZINE-CARBOXAMIDE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-06-06 — — 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 (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-12421218-B2 Substituted pyrazine-carboxamide derivatives GRM4, GRIA4, GRM1 NPC1 1174/4885CTSL 4172/4885ELANE 4632/4885
US-20240417394-A1 NOVEL SUBSTITUTED PYRAZINE-CARBOXAMIDE DERIVATIVES GRIA4, GRM4, GRM1 NPC1 1467/4885CTSL 4154/4885ELANE 4690/4885
US-20240182453-A1 NOVEL SUBSTITUTED PYRAZINE-CARBOXAMIDE DERIVATIVES GRIA4, GRM4, GRM1 NPC1 1467/4885CTSL 4154/4885ELANE 4690/4885

“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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