SCHEMBL14008956

SCHEMBL14008956

O=C(Nc1ccc(-n2cncn2)cc1)c1ccc(C(=O)NC2CCCCC2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CCR3 P51677 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL14009005 0.84 BLM (0.47) ALDH1A1HPGDSMN1; SMN2TSHRS1PR1
SCHEMBL14009119 0.83 SMYD3 (0.48) SMYD3ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL14009254 0.82 KDM4E (0.45) ALDH1A1HPGDSMN1; SMN2CCR3S1PR1
SCHEMBL14009058 0.82 ROCK1 (0.51) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL14009076 0.82 HTT (0.53) ALDH1A1SMN1; SMN2TSHRLMNANPC1
SCHEMBL14009095 0.82 SMYD3 (0.49) SMYD3ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL14009091 0.80 SMYD3 (0.49) SMYD3ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL14009028 0.78 MAPT (0.55) ALDH1A1HPGDSMN1; SMN2TSHRLMNA
SCHEMBL14009108 0.77 SMYD3 (0.53) SMYD3ALDH1A1HPGDSMN1; SMN2CCR3
SCHEMBL14009087 0.75 BLM (0.46) SMYD3NPC1RAB9AKMT2AMAPT

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 SMYD3 3202/4885ALDH1A1 4225/4885HPGD 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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