SCHEMBL10275350

SCHEMBL10275350

Cc1nc(Nc2ccc(C#N)cc2)c2cnn(-c3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
PDE2A O00408 3/20 0.44
BCDIN3D Q7Z5W3 10/20 0.43
DHODH Q02127 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
XDH P47989 2/20 0.40

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
SCHEMBL10313811 0.92 MAPT (0.51) EGFRKDRMAPTLMNABCDIN3D
SCHEMBL10275464 0.90 EGFR (0.42) EGFRPDGFRBKDRMAPTLMNA
SCHEMBL10275611 0.83 MAPK14 (0.51) KDRMAPTLMNABCDIN3DXDH
SCHEMBL10276071 0.78 EGFR (0.43) EGFRPDGFRBKDRDHODH
SCHEMBL10275527 0.78 SYK (0.41) MAPTLMNABCDIN3D
SCHEMBL10313812 0.76 XDH (0.42) KDRMAPTLMNAPDE2AXDH
SCHEMBL12826210 0.74 EGFR (0.49) EGFRPDGFRBKDRDHODH
SCHEMBL5007643 0.73 XDH (0.64) EGFRXDH
SCHEMBL10276387 0.72 XDH (0.53) KDRXDH
SCHEMBL10276254 0.70 TSHR (0.54) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 EGFR 2811/4885PDGFRB 4339/4885KDR 3298/4885

“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.