SCHEMBL10276071

SCHEMBL10276071

Cc1nc(Nc2ccc(C#N)cc2)c2ncn(-c3ccc(C(F)(F)F)cc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
DHODH Q02127 4/20 0.42
TRPV1 Q8NER1 4/20 0.39
CRHR1 P34998 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
CTSH P09668 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSC P53634 2/20 0.38
CTSZ Q9UBR2 2/20 0.38
CTSB P07858 1/20 0.38
CASP4 P49662 1/20 0.38
MMP14 P50281 1/20 0.38
BACE1 P56817 1/20 0.38
ADAM17 P78536 1/20 0.38
KLK4 Q9Y5K2 1/20 0.38
SYK P43405 1/20 0.37

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
SCHEMBL10313899 0.86 CRHR1 (0.39) DHODHCRHR1CTSVCTSLCTSH
SCHEMBL10275897 0.84 NPC1 (0.47) KDRCRHR1NPC1
SCHEMBL10275350 0.78 EGFR (0.47) EGFRPDGFRBKDRDHODH
SCHEMBL10275553 0.78 CTSL (0.41) CRHR1CTSVCTSLCTSHCTSS
SCHEMBL10313883 0.75 KIF11 (0.43) KDRCTSVCTSLCTSHCTSS
SCHEMBL12826210 0.74 EGFR (0.49) EGFRPDGFRBKDRDHODHTRPV1
SCHEMBL10275484 0.71 KIF11 (0.46) EGFRKDRCTSSCTSKKIF11
SCHEMBL10275464 0.71 EGFR (0.42) EGFRPDGFRBKDRNPC1
SCHEMBL10276398 0.69 XDH (0.47) KIF11
SCHEMBL10275865 0.69 KIF11 (0.36) KIF11

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-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

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.