SCHEMBL2642741

SCHEMBL2642741

CCS(=O)(=O)c1cccc(CN)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.66
HTR6 P50406 3/20 0.50
LOXL2 Q9Y4K0 4/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
PNMT P11086 1/20 0.44
ENPP2 Q13822 1/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
TNF P01375 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10066425 0.84 PSIP1 (0.56) PSIP1HTR6LOXL2CA2GAA
SCHEMBL13459302 0.83 PSIP1 (0.46) PSIP1HTR6LOXL2CA1CA2
SCHEMBL1127911 0.82 HTR6 (0.51) PSIP1HTR6LOXL2CA1CA2
SCHEMBL28266014 0.82 PSIP1 (0.54) PSIP1HTR6LOXL2CA1CA2
SCHEMBL17263850 0.81 PSIP1 (0.68) PSIP1CA1CA2GAAMAPT
Hydrochloric Acid SCHEMBL30468481 0.81 LOXL2 (0.50) PSIP1HTR6LOXL2CA1CA2
Hydrochloric Acid SCHEMBL723559 0.81 LOXL2 (0.50) PSIP1HTR6LOXL2CA1CA2
SCHEMBL23214313 0.81 PSIP1 (0.52) PSIP1HTR6GAANPC1TNF
SCHEMBL2642739 0.81 PSIP1 (0.52) PSIP1HTR6LOXL2GAANPC1
SCHEMBL19277486 0.81 PSIP1 (0.52) PSIP1HTR6CA1CA2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
CN-104379560-A Benzamide derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PSIP1 3906/4885HTR6 3574/4885LOXL2 2232/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 PSIP1 3913/4885HTR6 3549/4885LOXL2 2252/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 PSIP1 3906/4885HTR6 3574/4885LOXL2 2232/4885

“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.