SCHEMBL8170897

SCHEMBL8170897

NCCNc1cccnn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.55
P2RX7 Q99572 1/20 0.39
FERMT2 Q96AC1 1/20 0.39
KARS1 Q15046 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PIM1 P11309 2/20 0.35
CDC7 O00311 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35

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
SCHEMBL11324922 0.89 GOT1 (0.52) GOT1P2RX7KARS1HRH3CDK7
Hydrochloric Acid SCHEMBL8048735 0.87 GOT1 (0.50) GOT1P2RX7KARS1HRH3CDK7
SCHEMBL10858944 0.80 GOT1 (0.50) GOT1P2RX7CYP1A2CYP2C19
SCHEMBL5940546 0.80 GOT1 (0.50) GOT1P2RX7PIM1ALDH1A1HSD17B10
SCHEMBL5757740 0.80 GOT1 (0.50) GOT1P2RX7KARS1PIM1CDC7
SCHEMBL10858333 0.80 GOT1 (0.50) GOT1P2RX7CYP1A2CYP2C19
SCHEMBL13356938 0.77 TLR8 (0.47) GOT1PIM1CDC7ROCK2MAP4K4
SCHEMBL17927689 0.76 SOAT1 (0.46) GOT1
SCHEMBL18077511 0.75
SCHEMBL30864862 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913735-B2 Bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-02-09 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
CN-1209063-A Vitronection receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO 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-10913735-B2 Bis-heteroaryl derivatives as modulators of protein aggregation PARK7, HTT, SNCA GOT1 2884/4885P2RX7 4817/4885FERMT2 3136/4885

“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.