SCHEMBL17400550

SCHEMBL17400550

CC[C@@H]1CCCN1Cc1sc(NC(=O)c2cnc(N3CCC(C(=O)O)CC3)cn2)nc1-c1cc(C)c(OC)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.41
▸ MPL P40238 9/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.36
▸ NEK2 P51955 2/20 0.36
▸ PDCD1 Q15116 2/20 0.35
▸ CD274 Q9NZQ7 2/20 0.35
▸ PLK1 P53350 1/20 0.34
▸ NEK1 Q96PY6 1/20 0.34

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
SCHEMBL17400703 0.93 MPL (0.42) ADORA3MPLTRPV4NEK2
SCHEMBL17412717 0.93 MPL (0.43) ADORA3MPLTRPV4NEK2
SCHEMBL17400700 0.90 ADORA3 (0.42) ADORA3MPLTRPV4PDCD1CD274
SCHEMBL17400610 0.90 MPL (0.44) ADORA3MPLTRPV4
SCHEMBL17400495 0.90 MPL (0.44) ADORA3MPLTRPV4
SCHEMBL17400563 0.90 MPL (0.44) ADORA3MPL
SCHEMBL17400497 0.89 MPL (0.48) ADORA3MPL
SCHEMBL17412713 0.88 ADORA3 (0.44) ADORA3MPLTRPV4NEK2
SCHEMBL17400635 0.87 MPL (0.45) ADORA3MPLTRPV4PDCD1CD274
SCHEMBL17412759 0.87 ADORA3 (0.42) ADORA3MPLTRPV4

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
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
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 — — EP 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 ADORA3 56/4885MPL 3292/4885TRPV4 23/4885

“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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