SCHEMBL6354533

SCHEMBL6354533

Cc1nn(-c2ccccn2)c2[nH]c3c(Cl)cc(Cl)cc3c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CDK2 P24941 3/20 0.39
CCNA2 P20248 2/20 0.39
PLK4 O00444 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SPR P35270 1/20 0.38
CCNE2 O96020 1/20 0.38

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
SCHEMBL6342646 0.85 ALDH1A1 (0.48) HPGDNPSR1MEN1KMT2APLK4
SCHEMBL6343219 0.84 L3MBTL1 (0.40) SMN1; SMN2HPGDNPSR1MEN1KMT2A
SCHEMBL6344842 0.83 SPR (0.43) PLK4MAPK8MAPK9AURKBCLK4
SCHEMBL6339985 0.81 L3MBTL1 (0.43) SMN1; SMN2HPGDKMT2ACDK2CCNA2
SCHEMBL6354095 0.80 L3MBTL1 (0.40) SMN1; SMN2HPGDCDK2CCNA2ALDH1A1
SCHEMBL6341840 0.80 ALDH1A1 (0.40) SMN1; SMN2HPGDMEN1KMT2ACDK2
SCHEMBL6344518 0.80 ALDH1A1 (0.40) SMN1; SMN2HPGDMEN1KMT2ACDK2
SCHEMBL6341115 0.79 MEN1 (0.45) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL6341201 0.78 MAPT (0.40) SMN1; SMN2HPGDCDK2CCNA2ALDH1A1
SCHEMBL6342685 0.78 L3MBTL1 (0.41) SMN1; SMN2HPGDMEN1KMT2ACDK2

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 SMN1; SMN2 4864/4885HPGD 19/4885NPSR1 2927/4885

“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.