SCHEMBL14647226

SCHEMBL14647226

O=c1[nH]c2cc(CN3CCN(Cc4ccc(F)cc4)CC3)cn2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR1A P08908 2/20 0.42
HTR2C P28335 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
PARP1 P09874 3/20 0.41
ALDH3A1 P30838 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL14647183 0.91 PARP1 (0.46) TSHRPARP1
SCHEMBL14647223 0.91 SIGMAR1 (0.45) KMT2ATSHRPARP1
SCHEMBL14647220 0.90 TP53 (0.47) TNKSPARP1
SCHEMBL14647189 0.87 PARP1 (0.43) PARP1
SCHEMBL14647194 0.87 PARP1 (0.47) PARP1
SCHEMBL14647166 0.87 PARP1 (0.49) HTR1APARP1
SCHEMBL14647225 0.86 PARP1 (0.48) TNKSPARP1
SCHEMBL14647155 0.86
SCHEMBL14647187 0.85 DRD4 (0.43) MEN1KMT2ATSHRHTR1APARP1
SCHEMBL15979574 0.85 PARP1 (0.49) TNKSHTR1APARP1

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 13 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
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US claimed
EP-2733144-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2014-05-21 EP 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 TNKS 19/4885MEN1 3875/4885KMT2A 969/4885

“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.