SCHEMBL30914197

SCHEMBL30914197

CCn1cnc2c(C)c(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CTSL P07711 2/20 0.36
▸ CTSV O60911 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSH P09668 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CASP4 P49662 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ CTSC P53634 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ CTSZ Q9UBR2 1/20 0.36
▸ KLK4 Q9Y5K2 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ AR P10275 3/20 0.36
▸ CYP17A1 P05093 1/20 0.35
▸ RAB9A P51151 2/20 0.35

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
SCHEMBL30914204 0.82 NPC1 (0.40) KDM4EHIF1ANPSR1CTSLCTSS
SCHEMBL30914201 0.81 MEN1 (0.46) KDM4EHIF1ANPSR1CTSLCTSS
SCHEMBL31203032 0.79 KDM4E (0.37) KDM4EHIF1ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL9129588 0.69 USP2 (0.45) KDM4ENPC1ARRAB9AALDH1A1
SCHEMBL10129568 0.68 CYP17A1 (0.45) CYP17A1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL16923740 0.68 RPS6KA5 (0.40) KDM4ENPC1CYP17A1RAB9AALDH1A1
SCHEMBL14723302 0.67 CYP2C19 (0.47) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL11335130 0.67 NPC1 (0.41) KDM4ENPC1CYP17A1RAB9AALDH1A1
SCHEMBL5085214 0.67 NPC1 (0.48) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL9125446 0.65 PGK1 (0.47) KDM4ENPC1ARRAB9AALDH1A1

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 KDM4E 1273/4885HIF1A 1532/4885NPSR1 220/4885
US-20240417394-A1 NOVEL SUBSTITUTED PYRAZINE-CARBOXAMIDE DERIVATIVES GRIA4, GRM4, GRM1 KDM4E 1122/4885HIF1A 1551/4885NPSR1 200/4885
US-20240182453-A1 NOVEL SUBSTITUTED PYRAZINE-CARBOXAMIDE DERIVATIVES GRIA4, GRM4, GRM1 KDM4E 1122/4885HIF1A 1551/4885NPSR1 200/4885

“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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