SCHEMBL2384844

SCHEMBL2384844

CCOC(=O)c1cc(F)c(N2CCOCC2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.56
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
ALOX15 P16050 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL31057346 0.84 ALDH1A1 (0.52) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2384845 0.84 ALDH1A1 (0.52) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16055190 0.83 PIK3CA (0.60) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20467962 0.81 NPC1 (0.54) ALDH1A1HPGDALOX15MEN1KMT2A
SCHEMBL4829558 0.81 PIK3CA (0.54) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20455676 0.80 ALDH1A1 (0.43) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20702982 0.79 ALDH1A1 (0.54) ALDH1A1HPGDALOX15SMN1; SMN2RAB9A
SCHEMBL18395002 0.78 HSD17B10 (0.57) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5623019 0.78 CA1 (0.48) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20098275 0.78 KDM4E (0.50) PIK3CAALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 EP disclosed
EP-1054874-B1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-08-28 EP disclosed
EP-1054874-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 2000-11-29 EP disclosed
US-6069141-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-05-30 US disclosed
WO-1999041244-A1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1999-08-19 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 (3 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 PIK3CA 1445/4885ALDH1A1 2657/4885KDM4E 420/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 PIK3CA 663/4885ALDH1A1 2316/4885KDM4E 83/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 PIK3CA 1445/4885ALDH1A1 2657/4885KDM4E 420/4885

“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.