SCHEMBL716746

SCHEMBL716746

COC(=O)c1cn(-c2ccccc2)nc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
ALDH1A1 P00352 6/20 0.63
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
MAPK1 P28482 3/20 0.59
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
DGAT1 O75907 1/20 0.52
GAA P10253 1/20 0.51
KDM4E B2RXH2 3/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL6172144 0.85 NPSR1 (0.67) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL720934 0.85 CA12 (0.59) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL719038 0.85 L3MBTL1 (0.62) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL70479 0.84 MAPT (0.69) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL718941 0.84 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL721457 0.84 MAPT (0.54) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4298023 0.83 ALDH1A1 (0.59) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL25432048 0.83 MAPT (0.68) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL10604729 0.82 MAPT (0.57) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL12264890 0.82 MAPT (1.00) MAPTALDH1A1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552895-B1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES Westfälische Wilhelms Universität Münster (DE) 2015-02-25 EP disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
WO-2011120861-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2011-10-06 WO disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (3 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885ALDH1A1 504/4885KMT2A 1298/4885
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 MAPT 2522/4885ALDH1A1 361/4885KMT2A 1571/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885ALDH1A1 504/4885KMT2A 1298/4885

“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.