SCHEMBL14009082

SCHEMBL14009082

COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(-n4cncn4)cc3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ RAB9A P51151 6/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ROCK1 Q13464 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ EGFR P00533 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ KDR P35968 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
SCHEMBL14008925 0.90 SMN1; SMN2 (0.54) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL14008933 0.88 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL14009037 0.87 ROCK1 (0.52) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL14009257 0.87 MEN1 (0.50) MAPTRAB9ASMN1; SMN2TP53KMT2A
SCHEMBL14009080 0.81 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL14009219 0.80 KMT2A (0.53) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL14009015 0.80 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL14009050 0.79 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14009250 0.78 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL14009111 0.78 F10 (0.49) MAPTRAB9ASMN1; SMN2KMT2ALMNA

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 MAPT 2145/4885RAB9A 3846/4885NPC1 4547/4885

“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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