SCHEMBL5217108

SCHEMBL5217108

Cc1ccc(NC(=O)Nc2nc(CN(C)C(C)C)cs2)cc1-c1ccoc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ KDR P35968 3/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ MAPT P10636 7/20 0.38
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ KIF18A Q8NI77 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ JAK2 O60674 1/20 0.36

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
SCHEMBL27714648 0.89 FNTA (0.40) FNTAFNTBKDRAURKBMAPT
SCHEMBL5214990 0.89 MAPT (0.41) FNTAFNTBKDRAURKBMAPT
SCHEMBL5216518 0.86 CNR1 (0.48) KDRAURKBMAPTLMNASMN1; SMN2
SCHEMBL5215826 0.84 MAPT (0.47) MAPTLMNASMN1; SMN2TP53ITGB1
SCHEMBL5218551 0.82 MAPT (0.42) KDRMAPTLMNASMN1; SMN2TP53
SCHEMBL5217930 0.81 KCNJ6 (0.48) KDRMAPTLMNASMN1; SMN2SMARCA2
SCHEMBL5215570 0.81 MAPT (0.43) KDRMAPTLMNASMN1; SMN2TP53
SCHEMBL5218842 0.81 MAPT (0.48) MAPTLMNASMN1; SMN2TP53RAB9A
SCHEMBL5218792 0.81 MAPT (0.43) KDRMAPTLMNASMN1; SMN2TP53
SCHEMBL5215872 0.81 MAPT (0.42) KDRMAPTLMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 FNTA 4749/4885FNTB 4412/4885KDR 3738/4885

“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.

Send feedback