SCHEMBL14009271

SCHEMBL14009271

COc1ccc(NCc2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)o2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP3A4 P08684 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ S1PR4 O95977 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL14009031 0.89 S1PR4 (0.51) ALDH1A1LMNAHPGDTP53MAPT
SCHEMBL14009028 0.81 MAPT (0.55) ALDH1A1LMNAHPGDTP53KDM4E
SCHEMBL14009303 0.80 MAPT (0.45) ALDH1A1LMNAHPGDTP53CYP3A4
SCHEMBL14009015 0.78 MAPT (0.46) LMNATP53KDM4EMAPTMEN1
SCHEMBL14008940 0.78 APOBEC3A (0.49) GAACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14009250 0.75 MAPT (0.53) ALDH1A1LMNATP53MAPTMEN1
SCHEMBL14035879 0.73 S1PR1 (0.37) APOBEC3AAPOBEC3GKMT2APOLBRAB9A
SCHEMBL14008995 0.73 KDM4E (0.53) ALDH1A1LMNAHPGDTP53KDM4E
SCHEMBL14009058 0.71 ROCK1 (0.51) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL14009076 0.71 HTT (0.53) ALDH1A1LMNATP53KDM4EGAA

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 ALDH1A1 4225/4885LMNA 3745/4885HPGD 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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