SCHEMBL18608668

SCHEMBL18608668

c1cnc(-n2cc(C3CCCCCCCC3)c(Cc3ccsc3)n2)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.35
▸ GABRA1 P14867 3/20 0.35
▸ GABRB2 P47870 3/20 0.35
▸ CCNE1 P24864 3/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC6A7 Q99884 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL20976710 1.00 KDR (0.35) KDRGABRA1GABRB2CCNE1CDK2
SCHEMBL20976745 1.00 KDR (0.35) KDRGABRA1GABRB2CCNE1CDK2
SCHEMBL18608669 0.82 TSHR (0.36) CCNE1CDK2ALDH1A1MEN1TSHR
SCHEMBL18608670 0.81 GABRA1 (0.42) GABRA1GABRB2CCNE1CDK2ALDH1A1
SCHEMBL17019402 0.78 PABPC1 (0.37) GABRA1LTA4HDRD2DRD4DRD3
SCHEMBL5749127 0.61 CNR1 (0.40) GABRA1GABRB2
SCHEMBL15549773 0.61 ALDH1A1 (0.46) ALDH1A1LTA4HDRD2DRD3MEN1
SCHEMBL14873437 0.59 ALDH1A1 (0.43) ALDH1A1LTA4HDRD2DRD3MEN1
SCHEMBL24768084 0.59 L3MBTL1 (0.51) ALDH1A1TSHR
SCHEMBL9357255 0.57 TAAR1 (0.56) ALDH1A1LTA4HDRD2DRD3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170065586-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-09 — — 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-20170065586-A1 SGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 KDR 438/4885GABRA1 2011/4885GABRB2 1126/4885

“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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