SCHEMBL2780701

SCHEMBL2780701

NCc1ccc(Cl)c(-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.73
TAAR1 Q96RJ0 4/20 0.52
MAOB P27338 2/20 0.49
CYP2A6 P11509 1/20 0.48
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
BACE1 P56817 1/20 0.46
DPP4 P27487 2/20 0.44
PNMT P11086 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
FFAR1 O14842 1/20 0.40
SGK1 O00141 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
Hydrochloric Acid SCHEMBL2780404 0.98 CSNK2A1 (0.74) CSNK2A1TAAR1MAOBCYP2A6CSNK2A2
SCHEMBL30803440 0.85 CSNK2A1 (1.00) CSNK2A1TAAR1MAOBCYP2A6CSNK2A2
SCHEMBL28999643 0.82 CSNK2A1 (0.50) CSNK2A1MAOBCYP2A6BACE1FFAR1
SCHEMBL27508195 0.82 CSNK2A1 (0.69) CSNK2A1TAAR1CSNK2A2CSNK2BCSNK2A3
SCHEMBL15679162 0.81 CSNK2A1 (0.49) CSNK2A1MAOBCYP2A6CSNK2A2CSNK2B
SCHEMBL2779989 0.81 CSNK2A1 (0.49) CSNK2A1MAOBCYP2A6BACE1FFAR1
SCHEMBL20187558 0.79 BACE1 (0.49) CSNK2A1MAOBCYP2A6BACE1FFAR1
SCHEMBL3789650 0.78 CSNK2A1 (0.59) CSNK2A1TAAR1BACE1DPP4LOXL2
SCHEMBL28942599 0.78 CNR1 (0.47) CSNK2A1MAOBCYP2A6BACE1
SCHEMBL27746382 0.78 TDP1 (0.47) CSNK2A1TAAR1MAOBCYP2A6BACE1

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-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
EP-2029592-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-03-04 EP disclosed
WO-2007125325-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125325-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 CSNK2A1 10/4885TAAR1 1529/4885MAOB 1311/4885

“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.