SCHEMBL1684000

SCHEMBL1684000

CCOC(=O)NC(=N)Nc1nc(Cl)ncc1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.38
DPP4 P27487 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
EGFR P00533 4/20 0.37
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DGAT1 O75907 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TNF P01375 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
SCHEMBL10037045 0.87 DPP4 (0.38) KDRDPP4CYP1A2EGFRTSHR
SCHEMBL862853 0.86 MAPKAPK2 (0.39) KDRDPP4CYP1A2CYP3A4CYP2C9
SCHEMBL18175977 0.86 KDR (0.38) KDRDPP4CYP1A2CYP3A4CYP2C9
SCHEMBL1621164 0.84 ALDH1A1 (0.38) KDRDPP4CYP1A2CYP3A4CYP2C9
SCHEMBL862858 0.84 ALDH1A1 (0.38) KDRDPP4CYP1A2CYP3A4CYP2C9
SCHEMBL28801538 0.80 POLB (0.39) KDRDPP4CYP1A2CYP3A4CYP2C9
SCHEMBL23924759 0.75 EGFR (0.46) KDRCYP1A2EGFRTSHRPOLB
SCHEMBL12067848 0.74 ALDH1A1 (0.43) POLBALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14300707 0.74 KMT2A (0.40) CYP2C9POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL1619616 0.73 MAPT (0.40) KDRDPP4TSHRPOLBALDH1A1

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
EP-2851367-B1 PROCESS FOR THE PREPARATION OF A 2-AMINO-5,8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE BY REACTION OF A 5-HALO-8-ALKOXY[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-AMINE WITH AN ALKALI METAL ALKOXIDE IN AN ALCOHOLIC SOLVENT DOW AGROSCIENCES LLC (US) 2016-10-26 EP disclosed
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 KDR 993/4885DPP4 663/4885CYP1A2 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 KDR 993/4885DPP4 663/4885CYP1A2 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.