SCHEMBL2882941

SCHEMBL2882941

N#Cc1nn(Cc2c(F)cccc2F)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
PDE5A O76074 7/20 0.38
KDM4E B2RXH2 1/20 0.38
BUB1 O43683 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL20140295 0.87 ELANE (0.44) ELANEL3MBTL1PDE5AMAPT
SCHEMBL2881224 0.86 PDE5A (0.42) ELANEL3MBTL1PDE5AMAPT
SCHEMBL30745084 0.86 PDE5A (0.48) ELANEPDE5AMAPT
SCHEMBL174888 0.86 PDE5A (0.48) ELANEPDE5AMAPT
SCHEMBL20140434 0.82 L3MBTL1 (0.46) ELANEL3MBTL1KDM4EMAPT
SCHEMBL20140374 0.82 L3MBTL1 (0.49) ELANEL3MBTL1KDM4EMAPT
SCHEMBL2883465 0.81 MAPT (0.51) ELANEL3MBTL1KDM4EMAPTKMT2A
SCHEMBL2877930 0.80 ELANE (0.41) ELANEL3MBTL1PDE5AKDM4EMAPT
SCHEMBL2881342 0.80 ELANE (0.41) ELANEL3MBTL1PDE5AMAPT
SCHEMBL20140783 0.80 L3MBTL1 (0.63) ELANEL3MBTL1KDM4E

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
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
EP-2013205-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES Bayer HealthCare AG (DE) 2009-01-14 EP disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 WO disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 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-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses AADAC, CYP11B2, PC ELANE 2397/4885L3MBTL1 3320/4885PDE5A 984/4885

“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.