SCHEMBL6846876

SCHEMBL6846876

Cc1c[nH]nc1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
HSD11B1 P28845 2/20 0.44
IDO1 P14902 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
LDHA P00338 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PLA2G7 Q13093 1/20 0.41
HTR7 P34969 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11620981 0.84 DCUN1D1 (0.44) KMT2AIDO1DCUN1D1GAAHTR7
SCHEMBL8886353 0.84 IDO1 (0.46) KMT2APOLBHSD11B1IDO1DCUN1D1
SCHEMBL31310138 0.82 IDO1 (0.44) KMT2APOLBIDO1DCUN1D1LDHA
SCHEMBL12554990 0.81 KMT2A (0.49) KMT2APOLBHSD11B1IDO1DCUN1D1
SCHEMBL11623107 0.81 ALDH1A1 (0.41) POLBIDO1PTGS2GAAALDH1A1
SCHEMBL11621636 0.79 DCUN1D1 (0.41) PTGS1PTGS2DCUN1D1NPC1RAB9A
SCHEMBL11622939 0.79 DCUN1D1 (0.41) KMT2AHSD11B1IDO1DCUN1D1GAA
SCHEMBL11624648 0.79 DCUN1D1 (0.34) IDO1DCUN1D1GAAHTR7ALDH1A1
SCHEMBL11625109 0.79 MBNL1 (0.47) IDO1DCUN1D1MGAMGAASI
SCHEMBL8883443 0.79 IDO1 (0.42) KMT2APOLBHSD11B1IDO1DCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
EP-1021416-B1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AG (DE) 2004-05-19 EP disclosed
US-6229022-B1 REACTING CARBONYL COMPOUNDS WITH HYDRAZINE, ITS HYDRATE OR SALTS IN THE PRESENCE OF SULFURIC ACID AND IODINE OR AN IODINE LIBERATING COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2001-05-08 US disclosed
EP-1021416-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP disclosed
WO-1998058914-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-12-30 WO disclosed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 KMT2A 1336/4885POLB 4484/4885HSD11B1 2655/4885

“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.