SCHEMBL22096909

SCHEMBL22096909

CCc1nccc(C=N)c1N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 4/20 0.36
▸ NOS3 P29474 3/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RPS6KA5 O75582 1/20 0.31

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
SCHEMBL19779244 0.80 DHFR (0.37) —
SCHEMBL21173558 0.75 NOS3 (0.39) NOS2NOS3NOS1
SCHEMBL19880575 0.74 NOS3 (0.31) NOS2NOS3
SCHEMBL3064440 0.74 NOS2 (0.42) NOS2NOS3NOS1PDE3BPDE3A
SCHEMBL20621309 0.73 — —
SCHEMBL11489975 0.72 NOS2 (0.56) NOS2NOS3NOS1PDE3BPDE3A
SCHEMBL1433191 0.72 NOS2 (0.41) NOS2NOS3NOS1PDE3BPDE3A
SCHEMBL1966363 0.71 NOS2 (0.39) NOS2NOS3NOS1PDE3BPDE3A
SCHEMBL31053616 0.71 NOS2 (0.39) NOS2NOS3NOS1PDE3BPDE3A
SCHEMBL28094709 0.71 NOS2 (0.39) NOS2NOS3NOS1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10875839-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-12-29 — — US disclosed
US-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-06-18 — — 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-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 NOS2 1227/4885NOS3 887/4885NOS1 1317/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 NOS2 1227/4885NOS3 887/4885NOS1 1317/4885

“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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