SCHEMBL14008953

SCHEMBL14008953

Cc1cc(CN2CCOCC2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPK1 P28482 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GALR3 O60755 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ HIF1A Q16665 4/20 0.44
▸ EPAS1 Q99814 4/20 0.44
▸ ABCB1 P08183 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ WNT3A P56704 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ MEN1 O00255 1/20 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
SCHEMBL14009047 0.91 CCR5 (0.44) S1PR1ABCB1CYP3A4ABL1BCR
SCHEMBL14609772 0.91 DDX3X (0.46) PDE7ASMN1; SMN2RAB9ANPC1TP53
SCHEMBL14009024 0.88 BLM (0.43) PDE7ASMN1; SMN2RAB9ANPC1TP53
SCHEMBL14008947 0.87 PDE7A (0.46) PDE7ASMN1; SMN2RAB9ANPC1TP53
SCHEMBL14009351 0.85 RAB9A (0.42) SMN1; SMN2RAB9ANPC1MAPTS1PR1
SCHEMBL14009017 0.85 MAPK14 (0.44) SMN1; SMN2RAB9ANPC1ABL1BCR
SCHEMBL14008951 0.84 NPC1 (0.43) RAB9ANPC1S1PR1ABL1BCR
SCHEMBL14009066 0.84 RAB9A (0.41) SMN1; SMN2RAB9ANPC1MAPTS1PR1
SCHEMBL14009089 0.83 S1PR1 (0.42) RAB9ANPC1S1PR1KMT2A
SCHEMBL14009068 0.81 RAB9A (0.44) RAB9ANPC1S1PR1KMT2A

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 PDE7A 571/4885SMN1; SMN2 2211/4885RAB9A 3846/4885

“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