SCHEMBL14008948

SCHEMBL14008948

Cc1cc(OCCN2CCN(C)CC2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MET P08581 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ JAK2 O60674 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
SCHEMBL14009017 0.92 MAPK14 (0.44) FLT3KDM4EALDH1A1KDR
SCHEMBL14008991 0.88 CYP1A2 (0.42) S1PR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL14009047 0.85 CCR5 (0.44) S1PR1ROCK2FLT3ABCB1CYP3A4
SCHEMBL14009026 0.84 RAB9A (0.46) S1PR1ROCK2KDRPDE7A
SCHEMBL14009015 0.83 MAPT (0.46) S1PR1MAPTKDM4EICAM1SELE
SCHEMBL14009068 0.79 RAB9A (0.44) S1PR1KDM4EICAM1SELEVCAM1
SCHEMBL14009351 0.78 RAB9A (0.42) S1PR1MAPTROCK2KDM4EALDH1A1
SCHEMBL14009309 0.78 RAB9A (0.43) S1PR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14009089 0.78 S1PR1 (0.42) S1PR1ROCK2KDM4EALDH1A1ICAM1
SCHEMBL14609772 0.78 DDX3X (0.46) S1PR1MAPTROCK2FLT3DDX3X

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 KCNA5 3790/4885SLC2A1 3793/4885S1PR1 2163/4885

“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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