SCHEMBL17019402

SCHEMBL17019402

Cc1cn(-c2ncccn2)nc1Cc1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 2/20 0.37
▸ IDH1 O75874 1/20 0.34
▸ P2RX7 Q99572 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ LTA4H P09960 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL17019401 0.78 ALDH1A1 (0.39) —
SCHEMBL18608668 0.78 KDR (0.35) DRD2DRD4DRD3GABRA1LTA4H
SCHEMBL20976745 0.78 KDR (0.35) DRD2DRD4DRD3GABRA1LTA4H
SCHEMBL20976710 0.78 KDR (0.35) DRD2DRD4DRD3GABRA1LTA4H
SCHEMBL17019403 0.73 GAA (0.32) —
SCHEMBL24768084 0.63 L3MBTL1 (0.51) —
SCHEMBL9357255 0.62 TAAR1 (0.56) IDH1DRD2DRD3LTA4H
SCHEMBL23126687 0.60 IDH1 (0.42) PABPC1IDH1DRD2DRD3
SCHEMBL27600078 0.59 TAAR1 (0.58) —
SCHEMBL20751464 0.58 IDH1 (0.46) IDH1DRD2DRD3LTA4H

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-20170065586-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-09 — — US disclosed
US-9487508-B2 SGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-08 — — US disclosed
US-20150232461-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-08-20 — — 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 (2 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-20150232461-A1 SGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 PABPC1 3245/4885IDH1 1787/4885P2RX7 204/4885
US-20170065586-A1 SGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 PABPC1 3245/4885IDH1 1787/4885P2RX7 204/4885

“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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