SCHEMBL20912065

SCHEMBL20912065

Cc1cnc(C)c(-c2ccn(C)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MAPK10 P53779 5/20 0.39
▸ JMJD6 Q6NYC1 5/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ SCN4A P35499 1/20 0.36
▸ CASP6 P55212 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL20912234 0.84 SCN4A (0.41) KMT2AMAPK10JMJD6KEAP1SCN4A
SCHEMBL19480882 0.83 CYP2A6 (0.46) KMT2AMAPK10JMJD6CCR1CCR5
SCHEMBL20912063 0.75 TGFBR1 (0.41) KMT2AMAPK10JMJD6KEAP1CYP19A1
SCHEMBL15885475 0.73 CASP6 (0.47) KMT2AJMJD6KEAP1SCN4ACASP6
SCHEMBL19480879 0.72 KEAP1 (0.43) KMT2AMAPK10JMJD6KEAP1CYP19A1
SCHEMBL42126 0.72 CCR1 (0.64) KMT2AJMJD6CCR1CCR5CCR8
SCHEMBL3448871 0.70 KMT2A (0.42) KMT2AJMJD6KEAP1S1PR2
SCHEMBL20912237 0.70 NNMT (0.43) KMT2AJMJD6S1PR2
SCHEMBL13744209 0.69 MKNK1 (0.54) KMT2AKEAP1SCN4ACYP19A1
SCHEMBL31512002 0.69 NOS3 (0.46) KMT2AMAPK10JMJD6KEAP1S1PR2

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-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-11 — — US disclosed
US-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-18 — — 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-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES HCRTR2, HCRTR1, CNR2 KMT2A 955/4885MAPK10 3537/4885JMJD6 2694/4885
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity HCRTR2, HCRTR1, CNR1 KMT2A 1113/4885MAPK10 3844/4885JMJD6 3022/4885

“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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