SCHEMBL827757

SCHEMBL827757

CCOC(=O)Cn1nc(Nc2cc(F)c(F)c(F)c2)nc1-c1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SYK P43405 7/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35

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
SCHEMBL827727 0.82 CYP1A2 (0.42) TSHRALDH1A1MAPK1SYKPOLB
SCHEMBL827490 0.81 TGFBR1 (0.34) MAPK1
SCHEMBL827781 0.76 ROCK2 (0.37) SYK
SCHEMBL827750 0.74 ALDH1A1 (0.44) TSHRALDH1A1MAPK1SYKHTT
SCHEMBL827495 0.73 CYP1A2 (0.43) TSHRMEN1KMT2ASYK
SCHEMBL827993 0.71 TGFBR1 (0.36) SYK
SCHEMBL827678 0.70 GSK3B (0.43) —
SCHEMBL2340465 0.70 CYP1A2 (0.39) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL827698 0.70 CYP1A2 (0.41) MAPK1POLBMAPTSMN1; SMN2
SCHEMBL827829 0.69 MAPK14 (0.36) MAPT

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-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 — — US disclosed
US-8143419-B2 Trisubstituted 1,2,4-triazoles JANSSEN PHARMACEUTICA N. V. (BE) 2012-03-27 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 TSHR 88/4885ALDH1A1 1480/4885MAPK1 2052/4885

“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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