SCHEMBL17270330

SCHEMBL17270330

Cc1ccc(C(=O)Nc2cccc(CN3CCCCC3)c2)s1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 15/20 0.72
▸ PARP1 P09874 1/20 0.53
▸ CDK5 Q00535 1/20 0.52
▸ CDK5R1 Q15078 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL17270181 0.86 ACKR3 (0.72) ACKR3CDK5CDK5R1RAB9A
SCHEMBL17270169 0.86 ACKR3 (0.74) ACKR3CDK5CDK5R1RAB9A
SCHEMBL7600247 0.79 KDM4E (0.69) ACKR3CDK5CDK5R1KDM4EALDH1A1
SCHEMBL10702311 0.78 KDM4E (0.67) ACKR3CDK5CDK5R1KDM4EALDH1A1
SCHEMBL17270212 0.76 ACKR3 (0.73) ACKR3CDK5CDK5R1KDM4EALDH1A1
SCHEMBL27101124 0.76 ACKR3 (0.60) ACKR3KDM4EALDH1A1MAPTRAB9A
SCHEMBL17270139 0.76 ACKR3 (0.80) ACKR3
SCHEMBL10515943 0.75 CDK5 (0.56) ACKR3CDK5CDK5R1ALDH1A1
SCHEMBL25369081 0.74 DHX9 (0.48) ACKR3CDK5CDK5R1RAB9A
SCHEMBL30543897 0.74 DHX9 (0.48) ACKR3CDK5CDK5R1RAB9A

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-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 — — US disclosed
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2015-11-26 — — 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 (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-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives CXCR1, CXCR5, CXCR4 ACKR3 9/4885PARP1 1728/4885CDK5 998/4885

“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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