SCHEMBL14009120

SCHEMBL14009120

O=C(NC[C@H]1CCCO1)c1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.48
▸ HPGD P15428 5/20 0.47
▸ NAMPT P43490 8/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL14009129 1.00 KMT2A (0.50) KMT2ATAAR1HPGDNAMPTTSHR
SCHEMBL14009128 0.85 HDAC3 (0.50) NAMPT
SCHEMBL14009174 0.80 NAMPT (0.47) NAMPT
SCHEMBL14009091 0.78 SMYD3 (0.49) KMT2AHPGDNAMPTTSHRALDH1A1
SCHEMBL14009095 0.78 SMYD3 (0.49) KMT2AHPGDNAMPTTSHRMEN1
SCHEMBL14009108 0.78 SMYD3 (0.53) HPGDALDH1A1
SCHEMBL14009119 0.77 SMYD3 (0.48) KMT2AHPGDTSHRMEN1ALDH1A1
SCHEMBL14009094 0.77 ROCK1 (0.42) KMT2ANAMPTALDH1A1POLB
SCHEMBL14009182 0.77 ACKR3 (0.49) —
SCHEMBL14009084 0.77 NAMPT (0.44) KMT2ANAMPTMEN1ALDH1A1POLB

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 KMT2A 806/4885TAAR1 3698/4885HPGD 1636/4885

“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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