SCHEMBL16857579

SCHEMBL16857579

c1ccc(COc2c(Cc3ccccc3)c(-c3ccccc3)nn2-c2ccccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ HTT P42858 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ LMNA P02545 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ SMO Q99835 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL12003383 0.81 KDM4E (0.42) KDM4EHTTMAPTL3MBTL1ALDH1A1
SCHEMBL9294526 0.70 KDM4E (0.45) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL9294923 0.69 PTGDR2 (0.38) KDM4ENPC1RAB9AALDH1A1TSHR
SCHEMBL15609847 0.69 SMN1; SMN2 (0.40) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL15713858 0.69 HTT (0.41) KDM4EHTTMAPTL3MBTL1LMNA
SCHEMBL22772166 0.69 ALDH1A1 (0.44) KDM4EHTTMAPTNPC1RAB9A
SCHEMBL29850874 0.69 ALDH1A1 (0.44) KDM4EHTTMAPTNPC1RAB9A
SCHEMBL15778047 0.67 KDM5A (0.64) HTTMAPTNPC1RAB9AKDM5A
Isuzinaxib SCHEMBL12003400 0.67 CYBB (0.48) KDM4EHTTMAPTL3MBTL1ALDH1A1
Isuzinaxib SCHEMBL30527926 0.67 CYBB (0.48) KDM4EHTTMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2889032-B1 COMPOSITION FOR PREVENTING OR TREATING KIDNEY DISEASE COMPRISING PYRAZOLE DERIVATIVE UNIV EWHA IND COLLABORATION (KR) 2019-05-08 — — EP disclosed
EP-2889032-B1 COMPOSITION FOR PREVENTING OR TREATING KIDNEY DISEASE COMPRISING PYRAZOLE DERIVATIVE UNIV EWHA IND COLLABORATION (KR) 2019-05-08 — — EP disclosed
US-20150218125-A1 COMPOSITION FOR PREVENTING OR TREATING KIDNEY DISEASE COMPRISING PYRAZOLE DERIVATIVE EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2015-08-06 — — US disclosed
US-20150218125-A1 COMPOSITION FOR PREVENTING OR TREATING KIDNEY DISEASE COMPRISING PYRAZOLE DERIVATIVE EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2015-08-06 — — US disclosed
US-20150218125-A1 COMPOSITION FOR PREVENTING OR TREATING KIDNEY DISEASE COMPRISING PYRAZOLE DERIVATIVE EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2015-08-06 — — US disclosed
EP-2889032-A1 COMPOSITION FOR PREVENTING OR TREATING KIDNEY DISEASE COMPRISING PYRAZOLE DERIVATIVE Ewha University-Industry Collaboration Foundation (KR) 2015-07-01 — — EP disclosed
EP-2889032-A1 COMPOSITION FOR PREVENTING OR TREATING KIDNEY DISEASE COMPRISING PYRAZOLE DERIVATIVE Ewha University-Industry Collaboration Foundation (KR) 2015-07-01 — — 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-20150218125-A1 COMPOSITION FOR PREVENTING OR TREATING KIDNEY DISEASE COMPRISING PYRAZOLE DERIVATIVE REN, GLS, ATP6V1B1 KDM4E 1980/4885HTT 4077/4885MAPT 3687/4885

“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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