SCHEMBL14009017

SCHEMBL14009017

Cc1cc(OCCN2CCOCC2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ AURKB Q96GD4 8/20 0.43
▸ KDR P35968 4/20 0.43
▸ NR3C1 P04150 1/20 0.42
▸ ABL1 P00519 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ BCR P11274 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
SCHEMBL14008948 0.92 KCNA5 (0.41) KDRKDM4EALDH1A1FLT3
SCHEMBL14008991 0.86 CYP1A2 (0.42) ABL1NPC1KDM4ERAB9A
SCHEMBL14609772 0.85 DDX3X (0.46) AURKBNPC1RAB9ASMN1; SMN2AURKA
SCHEMBL14008953 0.85 PDE7A (0.46) ABL1NPC1RAB9ASMN1; SMN2BCR
SCHEMBL14008947 0.84 PDE7A (0.46) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL14009015 0.82 MAPT (0.46) NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL14009186 0.80 MEN1 (0.48) KDM4EALDH1A1SMN1; SMN2
SCHEMBL14009068 0.78 RAB9A (0.44) NPC1KDM4ERAB9A
SCHEMBL14009026 0.78 RAB9A (0.46) MAPK14KDRNPC1RAB9ASMN1; SMN2
SCHEMBL14009047 0.78 CCR5 (0.44) ABL1FLT3BRAFBCR

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 4 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

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 MAPK14 414/4885MAPK13 603/4885MAPK9 268/4885

“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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