SCHEMBL20524569

SCHEMBL20524569

Cn1ncc2ccc(NC(=O)c3ccccn3)cc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 12/20 0.54
▸ KDR P35968 2/20 0.54
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL30323212 1.00 GRM4 (0.54) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL22712288 0.85 GRM4 (0.52) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL30323180 0.85 GRM4 (0.52) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL4898390 0.78 TRPV1 (0.52) GRM4NPC1RAB9ATRPV1MAPT
SCHEMBL30006626 0.78 MAPT (0.53) NPC1RAB9ASMN1; SMN2KDM4ETRPV1
SCHEMBL30904872 0.77 KDR (0.84) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL19662769 0.77 KMT2A (0.61) NPC1RAB9ATP53
SCHEMBL4032270 0.76 KIT (0.53) KDR
SCHEMBL3878184 0.76 KIT (0.62) KDR
SCHEMBL20769948 0.76 KDM4E (0.54) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 — — EP disclosed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 — — CN disclosed
US-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-08-30 — — US disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 — — US disclosed
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 — — EP disclosed
WO-2018183145-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 — — 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 (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-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 GPR6, GPR3, GPR68 GRM4 136/4885KDR 1361/4885NPC1 1109/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 GRM4 136/4885KDR 1361/4885NPC1 1109/4885

“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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