SCHEMBL2608928

SCHEMBL2608928

CC(C)C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 6/20 0.53
GLA P06280 2/20 0.53
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MLYCD O95822 1/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL370922 0.87 RAB9A (0.51) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL13596197 0.86 KMT2A (0.56) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL23709491 0.84 KDM4E (0.55) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL24723675 0.84 TSHR (0.66) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL13009069 0.84 KMT2A (0.51) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL9891897 0.83 ALDH1A1 (0.62) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL26098377 0.83 RAB9A (0.47) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL26098374 0.83 RAB9A (0.47) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL15000367 0.82 KMT2A (0.53) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL9891902 0.82 AR (0.64) KDM4EKMT2AMEN1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130758-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-09-28 US disclosed
US-20200347050-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-11-05 US disclosed
US-9850242-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2017-12-26 US disclosed
EP-1856098-B1 PYRAZINYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORP (US) 2012-08-01 EP disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
EP-1853583-B1 AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORP (US) 2011-09-07 EP disclosed
US-7879838-B2 Chemokine receptor antagonists used for the treatment of inflammatory diseases, autoimmune diseases, transplant rejection, infectious diseases, drug sensitivity, ophthalmic inflammation, type I diabetes, viral meningitis and tumors SCHERING CORPORATION (US) 2011-02-01 US disclosed
US-7879838-B2 Chemokine receptor antagonists used for the treatment of inflammatory diseases, autoimmune diseases, transplant rejection, infectious diseases, drug sensitivity, ophthalmic inflammation, type I diabetes, viral meningitis and tumors SCHERING CORPORATION (US) 2011-02-01 US disclosed
US-7868005-B2 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2011-01-11 US disclosed
US-7868005-B2 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2011-01-11 US disclosed
US-7776862-B2 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2010-08-17 US disclosed
US-7776862-B2 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2010-08-17 US disclosed
US-7566718-B2 Amine-linked pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2009-07-28 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-03-08 US disclosed
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-01-25 US disclosed
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-01-25 US 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 (5 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-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CXCR1, CCR5 KDM4E 2942/4885KMT2A 3963/4885MEN1 2895/4885
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CCR1, CCR5 KDM4E 2641/4885KMT2A 3696/4885MEN1 2504/4885
US-20200347050-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 KDM4E 1310/4885KMT2A 2351/4885MEN1 4768/4885
US-11130758-B2 Tetrahydropyrazolopyrimidine compounds SSB, TLR8, TLR9 KDM4E 1310/4885KMT2A 2351/4885MEN1 4768/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E KDM4E 3267/4885KMT2A 3647/4885MEN1 4773/4885

“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.