SCHEMBL2131306

SCHEMBL2131306

CCc1c(Br)cccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
TSHR P16473 1/20 0.39
PRNP P04156 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2A6 P11509 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR2 Q92731 1/20 0.32
KDM5A P29375 2/20 0.32

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
SCHEMBL16771350 0.85 TSHR (0.46) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2134361 0.85 ALDH1A1 (0.39) DYRK1ATSHRNPC1RAB9ALMNA
SCHEMBL12490313 0.84 DYRK1A (0.41) DYRK1ATSHRNPC1RAB9ALMNA
SCHEMBL2780319 0.82 DYRK1A (0.42) DYRK1ATSHRNPC1RAB9ALMNA
SCHEMBL30568075 0.82 DYRK1A (0.42) DYRK1ATSHRNPC1RAB9ALMNA
SCHEMBL21768190 0.80 DYRK1A (0.41) DYRK1ATSHRNPC1RAB9ALMNA
SCHEMBL16955130 0.80 GABRA1 (0.35) PRNPGABRA1GABRB2
SCHEMBL30831844 0.80 DYRK1A (0.41) DYRK1ATSHRNPC1RAB9ALMNA
SCHEMBL27367558 0.78 DYRK1A (0.40) DYRK1ATSHRNPC1RAB9ALMNA
SCHEMBL1293277 0.78 GABRA1 (0.48) TSHRPRNPGABRA1GABRB2NPC1

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
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-3191486-B1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-08-01 EP disclosed
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
EP-2445891-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010148649-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 DYRK1A 2598/4885TSHR 223/4885PRNP 3941/4885

“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.