SCHEMBL6703282

SCHEMBL6703282

CC(C)(N)CNc1cccnn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.50
IL1B P01584 1/20 0.39
NUDT1 P36639 3/20 0.37
P2RX7 Q99572 1/20 0.36
PRKCH P24723 6/20 0.34
PRKCQ Q04759 6/20 0.34
PRKCE Q02156 5/20 0.34
PRKCD Q05655 5/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
PKN1 Q16512 2/20 0.34
PKN2 Q16513 2/20 0.34
LATS1 O95835 2/20 0.34
PRKCB P05771 2/20 0.34
PRKCA P17252 2/20 0.34
LATS2 Q9NRM7 1/20 0.34
FFAR2 O15552 1/20 0.32
LCK P06239 1/20 0.31
SLC6A2 P23975 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL17700270 0.85 GOT1 (0.48) GOT1NUDT1P2RX7FFAR2
SCHEMBL6702893 0.76 CXCR4 (0.52)
SCHEMBL30864862 0.75
SCHEMBL18077511 0.75
SCHEMBL28148590 0.74 GOT1 (0.39) GOT1
SCHEMBL8170897 0.72 GOT1 (0.55) GOT1P2RX7PRKCHPRKCEROCK2
SCHEMBL5940546 0.72 GOT1 (0.50) GOT1P2RX7FFAR2
SCHEMBL22654910 0.71 MAPT (0.50) IL1BNUDT1PRKCHPRKCQPRKCE
SCHEMBL12212573 0.71 IL1B (0.45) IL1BNUDT1PRKCHPRKCQPRKCE
SCHEMBL17036640 0.71 GOT1 (0.54) GOT1P2RX7FFAR2LCK

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 GOT1 338/4885IL1B 2071/4885NUDT1 2754/4885

“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.