SCHEMBL5397901

SCHEMBL5397901

Fc1ccc(C(F)(F)F)cc1Nc1ccnc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.47
CDK4 P11802 3/20 0.47
AURKA O14965 4/20 0.43
TMPRSS4 Q9NRS4 1/20 0.40
BRAF P15056 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ADRA2A P08913 1/20 0.39
MAPK8 P45983 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
APP P05067 1/20 0.37
CCNE1 P24864 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5261001 0.80 CDK4 (0.54) CDK2CDK4AURKAMAPK8APP
SCHEMBL16205251 0.80 SYK (0.48) AURKA
SCHEMBL3301688 0.78 AURKA (0.48) AURKAMAPK8MEN1KMT2A
SCHEMBL30263685 0.77 MPL (0.47) CDK2CDK4
SCHEMBL4433335 0.77 RECQL (0.41) CDK2CDK4AURKAMAPK8CCNE1
SCHEMBL4433403 0.77 MEN1 (0.43) CDK2CDK4APPCCNE1MEN1
SCHEMBL12813310 0.76 AURKA (0.61) CDK2CDK4AURKAMAPK8MEN1
SCHEMBL7767535 0.76 CDK2 (0.50) CDK2CDK4AURKAMAPK8APP
SCHEMBL22543338 0.74 MEN1 (0.42) CDK2CDK4TMPRSS4BRAFADRA2A
SCHEMBL30754748 0.74 MEN1 (0.42) CDK2CDK4TMPRSS4BRAFADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 US disclosed
EP-1107957-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-10-18 EP disclosed
US-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB 2005-04-28 US disclosed
EP-1107957-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012485-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 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-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-0 CDK2 74/4885CDK4 113/4885AURKA 345/4885

“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.