SCHEMBL2607223

SCHEMBL2607223

CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)C2=C(c3ncc(-c4cccs4)s3)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C(=O)C2=C1c1ncc(-c2cccs2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13146685 1.00 PRKDC (0.35) PRKDCALDH1A1KDM4EGAAKMT2A
SCHEMBL2607511 0.97 PRKDC (0.33) PRKDCALDH1A1KDM4EGAAKMT2A
SCHEMBL2607288 0.97 PRKDC (0.33) PRKDCALDH1A1KDM4EGAAKMT2A
SCHEMBL2607283 0.97 PRKDC (0.33) PRKDCALDH1A1KDM4EGAAKMT2A
SCHEMBL2607228 0.97 PRKDC (0.33) PRKDCALDH1A1KDM4EGAAKMT2A
SCHEMBL2607154 0.96 PRKDC (0.33) PRKDCALDH1A1KDM4EGAAKMT2A
SCHEMBL2607306 0.92 ALDH1A1 (0.33) PRKDCALDH1A1KDM4EGAAKMT2A
SCHEMBL2607337 0.91 DPP4 (0.32) PRKDCALDH1A1KDM4EGAAKMT2A
SCHEMBL2607287 0.91 DPP4 (0.32) PRKDCALDH1A1KDM4EGAAKMT2A
SCHEMBL13146546 0.90 PRKDC (0.31) PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2012-04-19 — — US disclosed
US-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 2012-04-19 — — US 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-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS PPOX, PIN1, DDT PRKDC 173/4885ALDH1A1 1580/4885KDM4E 2052/4885

“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.

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