SCHEMBL6345006

SCHEMBL6345006

O=C(O)c1ccccc1Nc1ccnn1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.45
AVPR1A P37288 2/20 0.45
AURKA O14965 2/20 0.45
FABP4 P15090 2/20 0.43
MAPK8 P45983 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
GFER P55789 1/20 0.41
FABP3 P05413 1/20 0.41
FABP5 Q01469 1/20 0.41
CDC7 O00311 1/20 0.41
TYK2 P29597 1/20 0.41
ALKBH2 Q6NS38 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL6342666 0.86 OXTR (0.51) OXTRAVPR1AFABP4KDM4EALDH1A1
SCHEMBL6342659 0.84 OXTR (0.47) OXTRAVPR1AKDM4ETYK2ALKBH2
SCHEMBL7160064 0.80 GFER (0.46) AURKAFABP4MAPK8KDM4EALDH1A1
SCHEMBL6340206 0.80 GFER (0.62) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL5473412 0.76 SMO (0.49) AURKAFABP4MAPK8MAPTHPGD
SCHEMBL5008447 0.75 GFER (0.69) ALDH1A1GAAMAPTGFERMEN1
SCHEMBL14600719 0.75 MAPT (0.49) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL3101175 0.75 ALKBH2 (0.47) OXTRAVPR1AKDM4EALDH1A1GAA
SCHEMBL5008627 0.73 MAPK8 (0.50) AURKAFABP4MAPK8KDM4EPOLB
SCHEMBL7420128 0.73 FABP4 (0.45) AURKAFABP4MAPK8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 OXTR 3639/4885AVPR1A 4177/4885AURKA 3551/4885

“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.