SCHEMBL1150453

SCHEMBL1150453

Cc1cnc2c(c1)N(c1ccccc1)C(=O)C2(Br)Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.37
▸ ELANE P08246 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL1149635 0.80 EGLN1 (0.43) GAAALDH1A1ELANEKDM4EHSD17B10
SCHEMBL1149527 0.72 MARK3 (0.37) GAAALDH1A1ELANEKDM4ECYP1A2
SCHEMBL1149955 0.69 HPGD (0.47) GAAALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL25839034 0.66 HPGD (0.38) GAAALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL2401166 0.65 ALDH1A1 (0.62) GAAALDH1A1ELANEKDM4EKMT2A
SCHEMBL7478581 0.65 KMT2A (0.51) ALDH1A1KDM4EHSD17B10KMT2ASMN1; SMN2
SCHEMBL1150372 0.62 EGLN1 (0.42) GAAALDH1A1ELANEKDM4ENPSR1
SCHEMBL14939595 0.62 KMT2A (0.44) ALDH1A1ELANEKDM4EKMT2AMAPT
SCHEMBL19286603 0.61 ALDH1A1 (0.53) GAAALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL1631298 0.60 KMT2A (0.45) GAAALDH1A1KMT2AHTTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580813-B2 Cyclic azaindole-3-carboxamides, their preparation and their use as pharmaceuticals SANOFI (FR) 2013-11-12 — — US disclosed
EP-2240482-B1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-07-17 — — EP disclosed
US-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-02-17 — — US disclosed
EP-2240482-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2010-10-20 — — EP disclosed
WO-2009095162-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-08-06 — — 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 (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-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, PM20D2, CDK20 GAA 1820/4885ALDH1A1 2609/4885ELANE 1584/4885

“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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