SCHEMBL10275316

SCHEMBL10275316

Cc1nn2c(=O)cc(-c3ccc(C#N)cc3)[nH]c2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
PLAT P00750 3/20 0.41
BCAT1 P54687 1/20 0.41
ARF6 P62330 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
KIT P10721 3/20 0.39
DGAT1 O75907 1/20 0.39
SOAT1 P35610 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PSD A5PKW4 1/20 0.38
PDE2A O00408 1/20 0.38

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
SCHEMBL10313508 0.88 PLAT (0.42) PLATALDH1A1GLAGAAHPGD
SCHEMBL10313454 0.88 ALDH1A1 (0.41) PLATARF6ALDH1A1GLAGAA
SCHEMBL10313591 0.87 KDM4E (0.41) PLATBCAT1ARF6ALDH1A1GAA
SCHEMBL10275651 0.83 AR (0.43) PLATARF6MAPTSMN1; SMN2NPC1
SCHEMBL10276231 0.81 CNR1 (0.41) PLATMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10275278 0.81 KIF11 (0.43) KIF11PLATARF6KITDGAT1
SCHEMBL10276015 0.80 DGAT1 (0.43) KIF11PLATARF6KITDGAT1
SCHEMBL10280465 0.80 GCGR (0.40) ARF6ALDH1A1GAAKCNH2MAPT
SCHEMBL17298733 0.79 ARF6 (0.63) PLATARF6ALDH1A1GLAGAA
SCHEMBL10276431 0.78 ARF6 (0.45) KIF11ARF6ALDH1A1GLAGAA

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 KIF11 4069/4885PLAT 2180/4885BCAT1 146/4885

“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.