SCHEMBL14647133

SCHEMBL14647133

O=c1[nH]c2cc(CN3CCCC3)cn2c2ccsc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.40
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
CDC7 O00311 1/20 0.35
ROCK1 Q13464 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
KDR P35968 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PABPC1 P11940 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
TSHR P16473 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15721661 0.85 HRH3 (0.34) PARP1HRH3PRMT6ALDH1A1POLB
SCHEMBL14647127 0.84 POLB (0.46) PARP1HTR1ATSHRALDH1A1POLB
SCHEMBL14647130 0.84 DRD4 (0.44) HTR1AHTR7TSHRALDH1A1L3MBTL1
SCHEMBL14647194 0.78 PARP1 (0.47) PARP1KDRPRMT6ALDH1A1
SCHEMBL14647240 0.75 PARP1 (0.44) PARP1GRIK1GRIA1ALDH1A1
SCHEMBL14647114 0.70 CSNK2A1 (0.43) PARP1GRIK1GRIA1ALDH1A1
SCHEMBL14647225 0.70 PARP1 (0.48) PARP1KDRPOLB
SCHEMBL14647221 0.69 PARP1 (0.49) PARP1HTR1AHTR7TSHR
SCHEMBL14647223 0.69 SIGMAR1 (0.45) PARP1HTR7TSHRALDH1A1
SCHEMBL14647197 0.68 MBTD1 (0.44) PARP1TSHRALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2733144-B1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP claimed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US claimed
EP-2733144-B1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
EP-2733144-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2014-05-21 EP disclosed
WO-2013008872-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY 参天製薬株式会社 (JP) 2013-01-17 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-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY PARP1, PARP11, PARP2 PARP1 1/4885HTR1A 1632/4885HTR7 2320/4885

“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.