SCHEMBL17412690

SCHEMBL17412690

Nc1nc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.59
NOTUM Q6P988 2/20 0.56
AR P10275 3/20 0.52
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
S1PR1 P21453 1/20 0.48
MTOR P42345 2/20 0.47
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3C2B O00750 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45

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
SCHEMBL17400548 0.89 MPL (0.63) MPLNOTUMARPDE3BPDE3A
SCHEMBL19626780 0.88 NOTUM (0.54) MPLNOTUMARPDE3BPDE3A
SCHEMBL19626793 0.86 NOTUM (0.52) MPLNOTUMARPDE3BPDE3A
SCHEMBL12293461 0.85 RAB9A (0.52) MPLARPDE3BPDE3ARAB9A
SCHEMBL17407205 0.82 RAB9A (0.49) ARPDE3BPDE3AMTORRAB9A
SCHEMBL17626163 0.81 NOTUM (0.56) NOTUMARPDE3BPDE3AS1PR1
SCHEMBL18463015 0.78 MAPT (0.56) S1PR1RAB9ANPC1ALDH1A1LMNA
SCHEMBL129802 0.77 ALOX5 (0.57) ARRAB9ANPC1ALDH1A1LMNA
SCHEMBL19626597 0.77 TRIM24 (0.48) MPLNOTUMPDE3BPDE3AS1PR1
SCHEMBL31210319 0.76 MAPT (0.61) NOTUMPDE3BPDE3AS1PR1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 MPL 3292/4885NOTUM 1911/4885AR 106/4885

“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.