SCHEMBL5799544

SCHEMBL5799544

CN(C(=O)C1CCC1)c1cccc(-c2ccnc3c(C#N)cnn23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
MAPK1 P28482 2/20 0.64
GABRA1 P14867 1/20 0.64
GABRG2 P18507 1/20 0.64
GABRB3 P28472 1/20 0.64
GABRA2 P47869 1/20 0.64
GABRB2 P47870 1/20 0.64
AOX1 Q06278 1/20 0.64
PDE3A Q14432 1/20 0.64
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
MDM2 Q00987 1/20 0.43
TLR8 Q9NR97 1/20 0.42
ELANE P08246 2/20 0.39
CDKN1A P38936 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3167714 0.86 KDM4E (0.71) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL29530755 0.86 KDM4E (0.77) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL3161983 0.86 KDM4E (0.77) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL5811647 0.84 KDM4E (0.80) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL3167558 0.83 TLR8 (0.46) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL5821489 0.81 CDKN1A (0.46) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL3166147 0.79 KDM4E (0.87) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL3155314 0.79 CDKN1A (0.49) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL1878099 0.79 KDM4E (0.65) KDM4EMAPK1GABRA1GABRG2GABRB3
Zaleplon SCHEMBL29118 0.78 KDM4E (1.00) KDM4EMAPK1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO claimed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US claimed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 US claimed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 US disclosed
EP-0208846-A1 [7-(3-Disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1987-01-21 EP disclosed
US-4626538-A [7-(3-disubstituted amino)phenyl]pyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1986-12-02 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 (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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS KDM4E 1967/4885MAPK1 494/4885GABRA1 3588/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS KDM4E 2705/4885MAPK1 1085/4885GABRA1 3807/4885

“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.