SCHEMBL4617637

SCHEMBL4617637

Cc1ncc([N+](=O)[O-])cc1C#Cc1cnc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
IDO1 P14902 1/20 0.37
GLA P06280 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 2/20 0.34
RAB9A P51151 2/20 0.34
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
ADK P55263 1/20 0.33

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
SCHEMBL4619528 0.78 MAPT (0.41) MAPTLMNAHTTGAAALDH1A1
SCHEMBL4618985 0.77 LCK (0.35) LCKKDRTEK
SCHEMBL4617547 0.76 TDP1 (0.52) MAPTLMNACASP3SENP8SENP7
SCHEMBL11722252 0.76 HTT (0.41) MAPTIDO1GLAHTTGAA
SCHEMBL2144087 0.72 TSHR (0.52) MAPTLMNAIDO1HTTGAA
SCHEMBL30464289 0.72 TSHR (0.52) MAPTLMNAIDO1HTTGAA
SCHEMBL438963 0.71 MAPT (0.64) MAPTLMNAIDO1ALDH1A1CYP3A4
SCHEMBL1772484 0.70 CASP3 (0.51) MAPTLMNACASP3SENP8SENP7
SCHEMBL15431214 0.69 IDO1 (0.44) MAPTLMNAIDO1GLAHTT
SCHEMBL4617925 0.69 GRM5 (0.33) LCKKDRTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 MAPT 3163/4885LMNA 3150/4885CASP3 3778/4885

“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.