SCHEMBL18792160

SCHEMBL18792160

NCc1ncc(N)c(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.45
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA1 P30542 6/20 0.39
ADORA2A P29274 6/20 0.39
CSNK1A1 P48729 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DHFR P00374 1/20 0.38
PIK3CG P48736 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
SCHEMBL18779303 0.84 ALDH1A1 (0.46) DPP4ALDH1A1LMNAKDM4EGLA
SCHEMBL3815262 0.82 ADORA1 (0.53) DPP4KMT2AADORA1ADORA2A
SCHEMBL20067097 0.81 PDE10A (0.42) DPP4ALDH1A1LMNAKDM4EGLA
SCHEMBL17111581 0.79 PTGS2 (0.40) ALDH1A1LMNAKDM4EGLAHPGD
SCHEMBL14127720 0.77 ADORA1 (0.61) LMNAKMT2AADORA1ADORA2ANUDT1
SCHEMBL17111479 0.77 NTRK1 (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL18779357 0.77 CYP1A2 (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL17111663 0.77 SRC (0.40) DPP4ALDH1A1LMNAKDM4EGLA
SCHEMBL18131234 0.76 NTRK1 (0.42) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL17111565 0.76 SRC (0.39) DPP4ALDH1A1LMNAKDM4EGLA

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
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 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-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 DPP4 4653/4885ALDH1A1 4290/4885LMNA 1566/4885

“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.