SCHEMBL5698242

SCHEMBL5698242

N=C1NCCN1c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 4/20 0.42
GFER P55789 4/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL24709283 0.82 SIGMAR1 (0.54) MAPTLMNATDP1DDB1CRBN
Bromide SCHEMBL31141400 0.80 SIGMAR1 (0.52) MAPTLMNATDP1DDB1CRBN
SCHEMBL4712786 0.78 DDB1 (0.56) MAPTALDH1A1GFERLMNAHTT
SCHEMBL6182088 0.73 MAPT (0.36) MAPTALDH1A1GFERLMNAKDM4E
SCHEMBL5698222 0.72 MAPT (0.50) MAPTALDH1A1GFERLMNAHTT
SCHEMBL10800951 0.69 KEAP1 (0.44) MAPTALDH1A1LMNAHTTKDM4E
SCHEMBL5630426 0.68 MAPT (0.36) MAPTALDH1A1GFERLMNAHTT
SCHEMBL5698195 0.68 MAPT (0.36) MAPTALDH1A1GFERLMNAHTT
SCHEMBL16162614 0.68 MMP2 (0.51) ALDH1A1LMNAHTTTDP1KMT2A
SCHEMBL14491992 0.67 DDB1 (0.53) MAPTALDH1A1GFERLMNAHTT

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 2 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

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 4455/4885ALDH1A1 1405/4885GFER 1822/4885

“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.