SCHEMBL5328567

SCHEMBL5328567

Cc1ccc(NC(=O)Nc2nc(CN(C)C(C)C)cs2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ CDK8 P49336 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KCNJ6 P48051 1/20 0.39
▸ KCNJ3 P48549 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ BLM P54132 3/20 0.39
▸ WRN Q14191 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAF1 P04049 1/20 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
SCHEMBL5349597 0.92 MAPT (0.47) MAPTCDK8LMNASMN1; SMN2P2RY1
SCHEMBL5219268 0.90 BLM (0.49) MAPTCDK8LMNASMN1; SMN2HSD17B10
SCHEMBL5218672 0.90 KDR (0.53) KDRBLMRAF1
SCHEMBL5215826 0.88 MAPT (0.47) MAPTCDK8LMNASMN1; SMN2TP53
SCHEMBL5219012 0.88 L3MBTL1 (0.45) MAPTLMNASMN1; SMN2HSD17B10MEN1
SCHEMBL5218842 0.87 MAPT (0.48) MAPTLMNASMN1; SMN2TP53RAB9A
SCHEMBL5222328 0.87 BLM (0.52) MAPTBLM
SCHEMBL5370388 0.86 MAPT (0.46) MAPTCDK8LMNASMN1; SMN2TP53
SCHEMBL5217930 0.85 KCNJ6 (0.48) MAPTLMNASMN1; SMN2KCNJ6KCNJ3
SCHEMBL5218792 0.85 MAPT (0.43) MAPTLMNASMN1; SMN2TP53RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN claimed
EP-1809380-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF Achillion Pharmaceuticals, Inc. (US) 2007-07-25 — — EP claimed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US claimed
WO-2006053323-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2006-05-18 — — WO claimed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 — — US claimed
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — 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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ZC3HAV1, CD4, ACIN1 MAPT 420/4885CDK8 275/4885LMNA 2002/4885

“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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