SCHEMBL14008968

SCHEMBL14008968

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-c4nc[nH]n4)c(F)c3)s2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ PRNP P04156 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ TNIK Q9UKE5 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ GPR35 Q9HC97 1/20 0.37
▸ POLQ O75417 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 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
SCHEMBL14008957 0.88 S1PR4 (0.52) RAB9AKDM4EALDH1A1GAANPC1
SCHEMBL14009011 0.86 NPC1 (0.39) RAB9AKDM4EALDH1A1GAANPC1
SCHEMBL14009239 0.76 RAB9A (0.56) RAB9AKDM4EALDH1A1GAANPC1
SCHEMBL14009158 0.75 NPC1 (0.54) RAB9AKDM4EALDH1A1NPC1PKM
SCHEMBL14009284 0.74 CA1 (0.50) RAB9AKDM4EALDH1A1NPC1TDP1
SCHEMBL14008963 0.74 CYP1A2 (0.47) RAB9AKMT2AMEN1LMNAMAPT
SCHEMBL14009241 0.74 RAB9A (0.50) RAB9AKDM4EALDH1A1NPC1TDP1
SCHEMBL14009279 0.73 NPC1 (0.62) RAB9AKDM4ENPC1TNIKKMT2A
SCHEMBL14009282 0.72 NPC1 (0.51) RAB9AKDM4EALDH1A1NPC1KMT2A
SCHEMBL14009231 0.72 MAPT (0.52) RAB9AKDM4EALDH1A1GAANPC1

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 RAB9A 3846/4885KDM4E 638/4885ALDH1A1 4225/4885

“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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