SCHEMBL3149112

SCHEMBL3149112

COc1ccccc1-c1ccc2[nH]c(=O)[nH]c2c1CN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.45
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
MPO P05164 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36

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
SCHEMBL1993654 0.90 DPP4 (0.45) DPP4FGFR1FGFR2MPOTNKS2
SCHEMBL3149289 0.76 HTT (0.47) MPOTNKS2GRIA1CACNG8MAPT
SCHEMBL3149462 0.71 DPP4 (0.57) DPP4ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1303787 0.70 ABCG2 (0.51) GRIA1CACNG8MAPTALDH1A1MEN1
SCHEMBL5158690 0.69 DPP4 (0.46) DPP4ALDH1A1KDM4EPTPRCPTPN1
SCHEMBL5325810 0.68 DPP4 (0.45) DPP4ALDH1A1KDM4ECHEK1HSD17B10
SCHEMBL1996958 0.67 DPP4 (0.46) DPP4MAPTALDH1A1KDM4EHSD17B10
SCHEMBL2001210 0.66 HTT (0.50) FGFR1FGFR2MAPTALDH1A1MEN1
SCHEMBL1998523 0.66 DPP4 (0.46) DPP4MAPTALDH1A1KDM4EHPGD
SCHEMBL7712321 0.65 SLK (0.43) GRIA1CACNG8MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US claimed
US-20050272765-A1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-08 US claimed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
US-20050272765-A1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-08 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-20050272765-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 DPP4 2/4885FGFR1 3401/4885FGFR2 3996/4885

“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.