SCHEMBL1621164

SCHEMBL1621164

CCOC(=O)NC(=NO)Nc1nc(Cl)ncc1OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDR P35968 7/20 0.37
DPP4 P27487 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 4/20 0.36
IMPDH2 P12268 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL862858 1.00 ALDH1A1 (0.38) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL1619623 0.87 ALDH1A1 (0.39) ALDH1A1GAAKDRDPP4EGFR
SCHEMBL863038 0.87 ALDH1A1 (0.39) ALDH1A1GAAKDRDPP4EGFR
SCHEMBL858362 0.87 KDM4E (0.35) ALDH1A1KDREGFRKDM4ESMN1; SMN2
SCHEMBL858364 0.87 KDM4E (0.35) ALDH1A1KDREGFRKDM4ESMN1; SMN2
SCHEMBL862853 0.86 MAPKAPK2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19KDR
SCHEMBL1684000 0.84 KDR (0.38) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL18175977 0.84 KDR (0.38) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL28801538 0.78 POLB (0.39) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL12067848 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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
US-8338596-B2 Process for the preparation of 5-substituted-8-alkoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amines DOW AGROSCIENCES LLC (US) 2012-12-25 US disclosed
US-20120088913-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2012-04-12 US disclosed
US-20110295003-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-AMINES DOW AGROSCIENCES LLC (US) 2011-12-01 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 (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-20110295003-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-AMINES PAH, AZI2, ABL2 ALDH1A1 341/4885GAA 703/4885CYP1A2 131/4885
US-20120088913-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-8-ALKOXY[1,2,4]TRIAZOLO[1,5-c]PYRIMIDIN-2-AMINES PAH, AZI2, ABL2 ALDH1A1 341/4885GAA 703/4885CYP1A2 131/4885

“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.