SCHEMBL5698135

SCHEMBL5698135

CN1CCN(c2ccc(N)cc2)/C1=N/C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
GFER P55789 4/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
ADRA2C P18825 1/20 0.41
PTK2B Q14289 1/20 0.41
ESR2 Q92731 1/20 0.41
HTT P42858 2/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 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
SCHEMBL5698137 1.00 MAPT (0.41) MAPTGFERGAAKDM4EALDH1A1
SCHEMBL6150177 0.77 KMT2A (0.48) MAPTGFERGAAKDM4EALDH1A1
SCHEMBL6150172 0.77 KMT2A (0.48) MAPTGFERGAAKDM4EALDH1A1
SCHEMBL3577171 0.69 MAPT (0.47) MAPTGFERGAAKDM4EALDH1A1
SCHEMBL5630426 0.69 MAPT (0.36) MAPTGFERGAAKDM4EALDH1A1
SCHEMBL5698195 0.69 MAPT (0.36) MAPTGFERGAAKDM4EALDH1A1
SCHEMBL25896631 0.67 MAPT (0.44) MAPTGFERGAAKDM4EALDH1A1
SCHEMBL23135433 0.63 LMNA (0.44) MAPTGFERGAAKDM4EALDH1A1
SCHEMBL25751667 0.62 SIGMAR1 (0.42) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL11174231 0.62 ALDH1A1 (0.42) MAPTGAAKDM4EALDH1A1KMT2A

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-1679073-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(IMINO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GmbH (DE) 2006-07-12 EP disclosed
US-20050203127-A1 2-(Phenyl)-2h-pyrazole-3-carboxylic acid-n-4-(thioxo-heterocyclyl)-phenyl-amide derivatives and corresponding imino-heterocyclyl derivatives and relates compounds for use as inhibitors of the coagulation factors xa and/or viia for treating thromboses MERCK PATENT GMBH (DE) 2005-09-15 US disclosed
EP-1517685-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GmbH (DE) 2005-03-30 EP disclosed
WO-2004002477-A1 2-(PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID-N-4-(THIOXO-HETEROCYCLYL)-PHENYL-AMIDE DERIVATIVES AND CORRESPONDING IMINO-HETEROCYCLYL DERIVATIVES AND RELATES COMPOUNDS FOR USE AS INHIBITORS OF THE COAGULATION FACTORS XA AND/OR VIIA FOR TREATING THROMBOSES MERCK PATENT GMBH (DE) 2004-01-08 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-20050203127-A1 2-(Phenyl)-2h-pyrazole-3-carboxylic acid-n-4-(thioxo-heterocyclyl)-phenyl-amide derivatives and corresponding imino-heterocyclyl derivatives and relates compounds for use as inhibitors of the coagulation factors xa and/or viia for treating thromboses F11, F12, F2 MAPT 4455/4885GFER 1822/4885GAA 1476/4885

“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.