SCHEMBL5219232

SCHEMBL5219232

COc1cc(NC(=O)Nc2nc(CN(C)C(C)C)cs2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ CSNK1D P48730 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ AVPR1B P47901 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ ZAP70 P43403 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RAF1 P04049 2/20 0.40
▸ BRAF P15056 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.39
▸ POLB P06746 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
SCHEMBL5220900 0.84 MAPT (0.54) MAPTSMN1; SMN2HTT
SCHEMBL5214312 0.83 MAPT (0.50) MAPTCSNK1DEPHX2POLBHTT
SCHEMBL5219012 0.81 L3MBTL1 (0.45) MAPTSMN1; SMN2BRAFL3MBTL1CYP2D6
SCHEMBL5328567 0.77 MAPT (0.46) MAPTSMN1; SMN2RAF1POLB
SCHEMBL5219268 0.77 BLM (0.49) MAPTSRCSMN1; SMN2BRAFPOLB
SCHEMBL5353328 0.77 IDH2 (0.44) MAPTL3MBTL1HTT
SCHEMBL5215864 0.77 MAPT (0.43) MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL5218672 0.77 KDR (0.53) RAF1BRAF
SCHEMBL5222457 0.75 RAB9A (0.47) MAPTSMN1; SMN2L3MBTL1HTT
Trifluoroacetic Acid SCHEMBL5359387 0.75 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1CYP1A2CYP3A4

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 MAPT 420/4885CSNK1D 786/4885EPHX2 4368/4885

“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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