SCHEMBL14009197

SCHEMBL14009197

COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)s2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.46
▸ RAB9A P51151 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ICAM1 P05362 1/20 0.42
▸ SELE P16581 1/20 0.42
▸ VCAM1 P19320 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GRM7 Q14831 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL14009215 0.91 KMT2A (0.49) RAB9AICAM1SELEVCAM1AAK1
SCHEMBL14009251 0.89 KMT2A (0.51) NAMPTRAB9AICAM1SELEVCAM1
SCHEMBL14009056 0.88 MAPT (0.52) RAB9AICAM1SELEVCAM1MAPT
SCHEMBL14009178 0.85 RAB9A (0.47) RAB9ARXFP1ICAM1SELEVCAM1
SCHEMBL14008925 0.84 SMN1; SMN2 (0.54) RAB9AICAM1SELEVCAM1MAPT
SCHEMBL14009057 0.83 KMT2A (0.53) RAB9ARXFP1MAPTBLMPOLB
SCHEMBL14009154 0.83 SMN1; SMN2 (0.54) RAB9AMAPTPOLBKMT2AMEN1
SCHEMBL14009219 0.83 KMT2A (0.53) RAB9ARXFP1MAPTPOLBKMT2A
SCHEMBL14609404 0.81 ROCK1 (0.45) RAB9ARXFP1ICAM1SELEVCAM1
SCHEMBL14009049 0.80 NAMPT (0.46) NAMPTRAB9AICAM1SELEVCAM1

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 NAMPT 1107/4885RAB9A 3846/4885RXFP1 4645/4885

“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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