SCHEMBL3754995

SCHEMBL3754995

CSc1nn(C2CC2)c2nc(Nc3ccc(N4CCOCC4)cc3)nc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
CDK4 P11802 5/20 0.44
AURKA O14965 1/20 0.44
CCND1 P24385 4/20 0.43
CCND2 P30279 3/20 0.43
CCND3 P30281 3/20 0.43
CCNB2 O95067 2/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
CCNE2 O96020 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
CFTR P13569 1/20 0.42
IGF1R P08069 1/20 0.41
FLT3 P36888 3/20 0.41

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
SCHEMBL3748201 0.83 JAK3 (0.47) MAPK1TP53MAPTCDK4AURKA
SCHEMBL3751156 0.83 MAPT (0.46) MAPK1TP53MAPTCDK4AURKA
SCHEMBL3749814 0.80 JAK3 (0.45) MAPK1TP53MAPTCDK4AURKA
Phosphoric Acid SCHEMBL3757724 0.79 JAK3 (0.44) MAPK1TP53MAPTCDK4AURKA
SCHEMBL3750895 0.77 CDK4 (0.51) MAPK1TP53MAPTCDK4AURKA
SCHEMBL3757216 0.74 CDK4 (0.48) MAPK1TP53MAPTCDK4AURKA
SCHEMBL3749379 0.73 JAK2 (0.49) CDK4AURKACCND1CCND2CCND3
SCHEMBL12085363 0.69 CDK4 (0.65) MAPK1TP53MAPTCDK4AURKA
SCHEMBL24243303 0.68 JAK3 (0.54) MAPK1TP53MAPTAURKAJAK2
SCHEMBL14694266 0.68 SYK (0.58) MAPK1TP53MAPTAURKAIGF1R

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 MAPK1 147/4885TP53 351/4885MAPT 615/4885

“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.