SCHEMBL16485458

SCHEMBL16485458

COC(=O)c1ccc(CN2CCN(C)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 2/20 0.50
FAAH O00519 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
CHEK1 O14757 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL17011749 0.88 KMT2A (0.54) KMT2AMEN1KDM4EFAAHTP53
SCHEMBL1013959 0.86 HTT (0.59) KMT2AMEN1MAPK1
SCHEMBL6043781 0.86 CHKA (0.48) CHKAKMT2AMEN1KDM4ETP53
SCHEMBL18290565 0.83 ALDH1A1 (0.66) CHKAKMT2AMEN1KDM4EHDAC6
SCHEMBL28662739 0.82 FAAH (0.49) KMT2AMEN1KDM4EFAAHTP53
SCHEMBL378360 0.82 ALDH1A1 (0.61) CHKAKMT2AMEN1KDM4ECHEK1
SCHEMBL2944876 0.81 CHKA (0.66) CHKAKMT2AMEN1KDM4EMAPK1
SCHEMBL9996727 0.79 KDM4E (0.64) KDM4E
SCHEMBL17478967 0.79 ALDH1A1 (0.55) CHKAKMT2AKDM4EHDAC6
SCHEMBL29725216 0.78 KMT2A (0.50) CHKAKMT2AMEN1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907805-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2020-07-22 EP disclosed
EP-2907805-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2020-07-22 EP disclosed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US disclosed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US disclosed
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 US disclosed
EP-2907805-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2015-08-19 EP disclosed
WO-2014057772-A1 NOVEL PYRAZOLE DERIVATIVE 株式会社ファルマエイト (JP) 2014-04-17 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 (2 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-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, PSEN1, MAPT CHKA 1268/4885KMT2A 3488/4885MEN1 4329/4885
US-20150252029-A1 Novel Pyrazole Derivative PSEN2, PSEN1, MAPT CHKA 1268/4885KMT2A 3488/4885MEN1 4329/4885

“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.