SCHEMBL2607337

SCHEMBL2607337

CCCCCCCCCCCCC(CCCCCCCCCC)CN1C(=O)C2=C(c3cnc(-c4ccc(-c5ccc(-c6cccs6)s5)s4)s3)N(CC(CCCCCCCCCC)CCCCCCCCCCCC)C(=O)C2=C1c1cnc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ PRKDC P78527 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
SCHEMBL2607287 1.00 DPP4 (0.32) DPP4KDM4EALDH1A1GAAPRKDC
SCHEMBL16522153 0.98 DPP4 (0.31) DPP4KDM4EALDH1A1GAAPRKDC
SCHEMBL2607306 0.95 ALDH1A1 (0.33) KDM4EALDH1A1GAAPRKDCNPC1
SCHEMBL2607228 0.94 PRKDC (0.33) DPP4KDM4EALDH1A1GAAPRKDC
SCHEMBL2607511 0.94 PRKDC (0.33) DPP4KDM4EALDH1A1GAAPRKDC
SCHEMBL2607288 0.94 PRKDC (0.33) DPP4KDM4EALDH1A1GAAPRKDC
SCHEMBL2607283 0.94 PRKDC (0.33) DPP4KDM4EALDH1A1GAAPRKDC
SCHEMBL2607154 0.93 PRKDC (0.33) KDM4EALDH1A1GAAPRKDCTHRB
SCHEMBL13146685 0.91 PRKDC (0.35) KDM4EALDH1A1GAAPRKDCTHRB
SCHEMBL2607223 0.91 PRKDC (0.35) KDM4EALDH1A1GAAPRKDCTHRB

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-9067942-B2 Pyrrolopyrrole derivatives, their manufacture and use as semiconductors BASF SE (DE) 2015-06-30 — — US disclosed
US-9067942-B2 Pyrrolopyrrole derivatives, their manufacture and use as semiconductors BASF SE (DE) 2015-06-30 — — US disclosed
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
WO-2010115767-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS BASF SE (DE) 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-20120095236-A1 PYRROLOPYRROLE DERIVATIVES, THEIR MANUFACTURE AND USE AS SEMICONDUCTORS PPOX, PIN1, DDT DPP4 2747/4885KDM4E 2052/4885ALDH1A1 1580/4885

“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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