SCHEMBL3522772

SCHEMBL3522772

NCC(N)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
LOXL2 Q9Y4K0 2/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNA1 Q09470 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP8 Q6V1X1 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
SCHEMBL25532686 1.00 DPP4 (0.48) DPP4LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL22694641 0.83 DPP4 (0.52) DPP4LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL3466160 0.78 SLC6A4 (0.52) DPP4LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL13357550 0.78 ANPEP (0.48) DPP4LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL11971835 0.78 DPP4 (0.47) DPP4LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL10002431 0.78 DPP4 (0.47) DPP4LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL744414 0.78 SLC6A4 (0.52) DPP4LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL19897932 0.78 DPP4 (0.47) DPP4LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL6854249 0.78 SLC6A4 (0.52) DPP4LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL28852060 0.78 DPP4 (0.47) DPP4LOXL2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117731675-A Medical application of pentacyclic triterpene derivative, pentacyclic triterpene derivative and pharmaceutical composition containing pentacyclic triterpene derivative 上海科技大学 2024-03-22 CN disclosed
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 US disclosed
EP-2970200-A1 PYRIDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 EP disclosed
CN-105189481-A Pyridine cdk9 kinase inhibitors ABBVIE INC 2015-12-23 CN disclosed
WO-2014160017-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 WO disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 US disclosed
US-7709473-B2 Substituted 2H-[1,2,4]triazolo[4,3-a]pyrazines as GSK-3 inhibitors PFIZER INC. (US) 2010-05-04 US disclosed
US-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors BENBOW JOHN W 2007-10-25 US disclosed
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed
CN-1094718-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-09 CN 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 (2 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-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP DPP4 1086/4885LOXL2 3599/4885SLC6A2 4036/4885
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 DPP4 3403/4885LOXL2 3340/4885SLC6A2 4689/4885

“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.