SCHEMBL14009001

SCHEMBL14009001

Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ROCK1 Q13464 1/20 0.46
▸ DDX3X O00571 5/20 0.43
▸ RAB9A P51151 3/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41

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
SCHEMBL14009163 0.87 ROCK1 (0.51) KDM4EROCK1RAB9ARXFP1HSP90AA1
SCHEMBL14009068 0.87 RAB9A (0.44) KDM4EPOLBROCK1RAB9ARXFP1
SCHEMBL14009252 0.87 RAB9A (0.47) KDM4EPOLBROCK1RAB9ARXFP1
SCHEMBL14009154 0.86 SMN1; SMN2 (0.54) KDM4EPOLBROCK1RAB9ANPC1
SCHEMBL14009309 0.85 RAB9A (0.43) KDM4EPOLBROCK1RAB9ARXFP1
SCHEMBL14008995 0.85 KDM4E (0.53) KDM4EPOLBROCK1DDX3XRAB9A
SCHEMBL14609404 0.84 ROCK1 (0.45) KDM4EPOLBROCK1RAB9ARXFP1
SCHEMBL14009015 0.84 MAPT (0.46) KDM4ERAB9ARXFP1HSP90AA1ATM
SCHEMBL14009351 0.84 RAB9A (0.42) KDM4EPOLBROCK1RAB9ARXFP1
SCHEMBL14009050 0.83 MAPT (0.50) KDM4EPOLBROCK1RAB9ANPC1

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-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US disclosed
WO-2007022258-A1 NOVEL HIGH AFFINITY THIOPHENE-BASED AND FURAN-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 — — 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-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 KDM4E 638/4885POLB 1045/4885ROCK1 1401/4885

“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.

Send feedback