SCHEMBL10138341

SCHEMBL10138341

NC(=O)c1ccc2cncc(-c3ccc(Oc4ccccc4)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.52
CHEK2 O96017 7/20 0.52
SLC22A12 Q96S37 5/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
TNKS O95271 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
SCN9A Q15858 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP11B1 P15538 1/20 0.44

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
SCHEMBL578333 0.85 MAP4K4 (0.61) PARP10CHEK2SLC22A12PARP2MKNK1
SCHEMBL578534 0.83 CHEK2 (0.54) PARP10CHEK2SLC22A12CYP11B1CYP11B2
SCHEMBL10138549 0.82 SLC22A12 (0.58) PARP10CHEK2SLC22A12MKNK1MKNK2
SCHEMBL578503 0.82 PARP10 (0.54) PARP10SLC22A12MKNK1MKNK2CYP1A2
SCHEMBL578698 0.82 GRM2 (0.51) SLC22A12MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL10138300 0.82 SLC22A12 (0.48) CHEK2SLC22A12SCN9ACYP11B1CYP11B2
SCHEMBL578479 0.82 SLC22A12 (0.55) CHEK2SLC22A12MKNK1MKNK2
SCHEMBL10138319 0.81 SLC22A12 (0.54) CHEK2SLC22A12MKNK1MKNK2
SCHEMBL578341 0.81 MAP4K4 (0.58) CHEK2SLC22A12MKNK1MKNK2
SCHEMBL578353 0.81 CHEK2 (0.55) CHEK2SLC22A12MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010116915-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP 第一三共株式会社 (JP) 2010-10-14 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 PARP10 2347/4885CHEK2 3070/4885SLC22A12 1300/4885

“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.