SCHEMBL7590017

SCHEMBL7590017

Cc1c(C#N)c2n(c1-c1cccnc1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 4/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ ABCC1 P33527 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ DYRK1A Q13627 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL7587234 0.88 ABCC1 (0.44) CYP11B2KDM4EHSD17B10HTTABCC1
SCHEMBL7954850 0.86 ABCC1 (0.43) CYP11B2KDM4EHSD17B10HTTABCC1
SCHEMBL7955460 0.86 ABCC1 (0.43) KDM4EHSD17B10HTTABCC1ALDH1A1
SCHEMBL7953813 0.85 ABCC1 (0.43) CYP11B2KDM4EHSD17B10HTTABCC1
SCHEMBL2158205 0.85 KDM4E (0.45) CYP11B2KDM4EHSD17B10HTTABCC1
SCHEMBL7955035 0.84 ABCC1 (0.43) CYP11B2KDM4EHSD17B10HTTABCC1
SCHEMBL7953497 0.84 CYP11B2 (0.42) CYP11B2KDM4EHSD17B10HTTABCC1
SCHEMBL8647218 0.82 ABCC1 (0.42) CYP11B2KDM4EHSD17B10HTTABCC1
SCHEMBL7953612 0.82 ABCC1 (0.41) CYP11B2KDM4EHSD17B10HTTABCC1
SCHEMBL7946473 0.82 ABCC1 (0.43) CYP11B2KDM4EHSD17B10HTTABCC1

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-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 — — US claimed
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 — — US disclosed
EP-1086100-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-03-28 — — EP disclosed
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 — — US disclosed
WO-1999064419-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-12-16 — — 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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 CYP11B2 139/4885KDM4E 710/4885HSD17B10 569/4885

“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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