SCHEMBL3750895

SCHEMBL3750895

Nc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1cnn2C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.51
AURKA O14965 1/20 0.51
MAPK1 P28482 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
CCND1 P24385 6/20 0.49
CCND2 P30279 4/20 0.49
CCND3 P30281 4/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CCNB2 O95067 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
CCNE1 P24864 2/20 0.49
CDK2 P24941 2/20 0.49
CCNE2 O96020 1/20 0.49
CCNA2 P20248 1/20 0.49
CCNA1 P78396 1/20 0.49
SYK P43405 3/20 0.46
CDK6 Q00534 2/20 0.46
MEN1 O00255 1/20 0.44

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
SCHEMBL3757216 0.96 CDK4 (0.48) CDK4AURKAMAPK1MAPTTP53
SCHEMBL4392941 0.80 FLT3 (0.47) CDK4AURKAMAPK1MAPTTP53
SCHEMBL12085363 0.78 CDK4 (0.65) CDK4AURKAMAPK1MAPTTP53
SCHEMBL3754995 0.77 MAPK1 (0.47) CDK4AURKAMAPK1MAPTTP53
SCHEMBL1355413 0.77 CDK4 (0.72) CDK4AURKACCND1CCND2CCND3
SCHEMBL12639296 0.77 CDK4 (0.72) CDK4AURKACCND1CCND2CCND3
SCHEMBL29576169 0.76 MAPK1 (0.53) MAPK1MAPTTP53SYKSMN1; SMN2
SCHEMBL3748201 0.76 JAK3 (0.47) CDK4AURKAMAPK1MAPTTP53
SCHEMBL3751156 0.76 MAPT (0.46) CDK4AURKAMAPK1MAPTTP53
SCHEMBL24243309 0.74 TTK (0.67) AURKAMAPK1MAPTTP53TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298557-A1 PYRAZOLOPYRIMIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-11-25 US disclosed
EP-2123654-A1 PYRAZOLOPYRIMIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2009-11-25 EP 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-20100298557-A1 PYRAZOLOPYRIMIDINE COMPOUND SYK, LCK, FYN CDK4 1029/4885AURKA 321/4885MAPK1 147/4885

“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.