SCHEMBL1149953

SCHEMBL1149953

O=Cc1c2ccccc2nn1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.36
▸ ERN1 O75460 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4360026 0.77 ALDH1A1 (0.41) MPOERN1ALDH1A1LMNAKDM4E
SCHEMBL5752394 0.74 MPO (0.51) MPOERN1ESR2LMNAKDM4E
SCHEMBL18096451 0.74 PTGER4 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL25273272 0.73 ERN1 (0.38) ERN1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5176409 0.73 KMT2A (0.35) MPOERN1ALDH1A1LMNAMEN1
SCHEMBL28707953 0.73 MPO (0.54) MPOERN1ALDH1A1LMNASMN1; SMN2
SCHEMBL28456400 0.73 MPO (0.42) MPOALDH1A1MEN1KMT2AKDM4E
SCHEMBL29602832 0.71 ESR2 (0.50) MPOALDH1A1ESR2GPR3MAOA
SCHEMBL28453399 0.69 LMNA (0.42) MPOALDH1A1ESR2LMNAGPR3
SCHEMBL17981705 0.68 MPO (0.52) MPOALDH1A1LMNAMEN1KMT2A

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 MPO 574/4885ERN1 3604/4885ALDH1A1 2609/4885

“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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