SCHEMBL2607455

SCHEMBL2607455

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.41
▸ PRKDC P78527 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.38
▸ GAA P10253 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CASP1 P29466 6/20 0.37
▸ CASP7 P55210 6/20 0.37
▸ USP2 O75604 5/20 0.37
▸ CYP1A2 P05177 5/20 0.37
▸ HIF1A Q16665 5/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37

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
SCHEMBL12725123 0.83 DPP4 (0.50) DPP4ALDH1A1GAAKDM4EMAPT
SCHEMBL12725117 0.83 DPP4 (0.50) DPP4ALDH1A1GAAKDM4EMAPT
SCHEMBL13146551 0.81 PRKDC (0.31) PRKDC
SCHEMBL15932566 0.81 DPP4 (0.46) DPP4ALDH1A1GAAKDM4EMAPT
SCHEMBL15932568 0.81 DPP4 (0.46) DPP4ALDH1A1GAAKDM4EMAPT
SCHEMBL15932569 0.81 DPP4 (0.46) DPP4ALDH1A1GAAKDM4EMAPT
SCHEMBL2607281 0.78 PRKDC (0.33) DPP4PRKDCALDH1A1CASP1CASP7
SCHEMBL2246884 0.77 DPP4 (0.47) DPP4PRKDCALDH1A1GAAKDM4E
SCHEMBL2607288 0.76 PRKDC (0.33) DPP4PRKDCALDH1A1GAAKDM4E
SCHEMBL2607453 0.76 KDM4E (0.38) DPP4PRKDCALDH1A1KDM4EMAPT

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 DPP4 2747/4885PRKDC 173/4885ALDH1A1 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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