SCHEMBL2105416

SCHEMBL2105416

COc1c(-c2ccnc3c(C(=O)c4cccs4)cnn23)cc(F)cc1N(C)C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.45
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIM1 P11309 3/20 0.35
LIMK1 P53667 1/20 0.35
MAPK13 O15264 2/20 0.35
GSK3A P49840 2/20 0.34
DAPK3 O43293 1/20 0.34
AKT1 P31749 1/20 0.34
MAPK9 P45984 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
SCHEMBL2108371 0.84 CDKN1A (0.48) CDKN1AKDM4EALDH1A1MEN1MAPT
SCHEMBL14632096 0.83 CDKN1A (0.49) CDKN1AKDM4EALDH1A1MEN1MAPT
SCHEMBL2108079 0.81 CDKN1A (0.53) CDKN1AKDM4EALDH1A1PIM1LIMK1
Lorediplon SCHEMBL29376531 0.81 CDKN1A (0.54) CDKN1AKDM4EALDH1A1MEN1MAPT
Lorediplon SCHEMBL1316601 0.81 CDKN1A (0.54) CDKN1AKDM4EALDH1A1MEN1MAPT
SCHEMBL2107990 0.78 CDKN1A (0.55) CDKN1AKDM4EALDH1A1PIM1LIMK1
SCHEMBL3241433 0.77 CDKN1A (0.54) CDKN1AKDM4EALDH1A1PIM1LIMK1
Indiplon SCHEMBL75094 0.76 CDKN1A (0.61) CDKN1AKDM4EALDH1A1PIM1LIMK1
Indiplon SCHEMBL30292630 0.76 CDKN1A (0.61) CDKN1AKDM4EALDH1A1PIM1LIMK1
Indiplon SCHEMBL3714581 0.76 CDKN1A (0.61) CDKN1AKDM4EALDH1A1PIM1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158632-B2 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-17 US claimed
EP-2059521-B1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INT (ES) 2010-06-02 EP claimed
US-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNATIONAL, S.A. (ES) 2009-10-22 US claimed
US-8158632-B2 Pyrazolo[1,5-a]pyrimidines, processes, uses and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-17 US disclosed
EP-2059521-B1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INT (ES) 2010-06-02 EP disclosed
US-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNATIONAL, S.A. (ES) 2009-10-22 US disclosed
EP-2059521-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS Ferrer Internacional, S.A. (ES) 2009-05-20 EP disclosed
WO-2008015253-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS FERRER INTERNACIONAL, S.A. (ES) 2008-02-07 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 (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-20090264448-A1 PYRAZOLO[1,5-A]PYRIMIDINES, PROCESSES, USES AND COMPOSITIONS P2RX5, GABRA5, P2RX1 CDKN1A 1497/4885KDM4E 740/4885ALDH1A1 1005/4885

“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.