SCHEMBL2607228

SCHEMBL2607228

CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)C2=C(c3ncc(-c4ccc(-c5cccs5)s4)s3)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C(=O)C2=C1c1ncc(-c2ccc(-c3cccs3)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.33
▸ DPP4 P27487 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL2607288 1.00 PRKDC (0.33) PRKDCDPP4KDM4EALDH1A1GAA
SCHEMBL2607283 1.00 PRKDC (0.33) PRKDCDPP4KDM4EALDH1A1GAA
SCHEMBL2607511 1.00 PRKDC (0.33) PRKDCDPP4KDM4EALDH1A1GAA
SCHEMBL2607223 0.97 PRKDC (0.35) PRKDCKDM4EALDH1A1GAATHRB
SCHEMBL13146685 0.97 PRKDC (0.35) PRKDCKDM4EALDH1A1GAATHRB
SCHEMBL2607287 0.94 DPP4 (0.32) PRKDCDPP4KDM4EALDH1A1GAA
SCHEMBL2607337 0.94 DPP4 (0.32) PRKDCDPP4KDM4EALDH1A1GAA
SCHEMBL2607154 0.93 PRKDC (0.33) PRKDCKDM4EALDH1A1GAATHRB
SCHEMBL16522153 0.93 DPP4 (0.31) PRKDCDPP4KDM4EALDH1A1GAA
SCHEMBL2607453 0.92 KDM4E (0.38) PRKDCDPP4KDM4EALDH1A1NPC1

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 173/4885DPP4 2747/4885KDM4E 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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