SCHEMBL6701206

SCHEMBL6701206

NCCNc1nccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCH P24723 3/20 0.55
PRKCE Q02156 3/20 0.55
CA12 O43570 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FERMT2 Q96AC1 1/20 0.53
F12 P00748 1/20 0.47
PLAU P00749 1/20 0.47
NCF1 P14598 1/20 0.47
NOS3 P29474 1/20 0.47

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
SCHEMBL7120161 0.86 ADRA1A (0.54) ALDH1A1TSHRHSD17B10F12PLAU
SCHEMBL30223381 0.83 TNF (0.56) ALDH1A1F12PLAUNCF1NOS3
SCHEMBL12963544 0.83 UTS2R (0.56) ALDH1A1HSD17B10FDPSUSP30DRD2
SCHEMBL9374978 0.80 RAB9A (0.59) ALDH1A1RAB9A
SCHEMBL13738708 0.79 LDHA (0.60) ALDH1A1TSHRHSD17B10NCF1FDPS
SCHEMBL13739827 0.79 GAA (0.58) NCF1
SCHEMBL28662752 0.79 UTS2R (0.54) ALDH1A1TSHRHSD17B10F12PLAU
SCHEMBL11788598 0.78 KDM4E (0.59) ALDH1A1TSHRHSD17B10FDPSDRD2
SCHEMBL15206782 0.78 PLG (0.46) PRKCHPRKCEALDH1A1FERMT2PLAU
SCHEMBL10055014 0.77 WNT3A (0.54) ALDH1A1TSHRFDPSUSP30RAB9A

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
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 WO disclosed
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 PRKCH 3207/4885PRKCE 4242/4885CA12 695/4885

“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.