SCHEMBL22096855

SCHEMBL22096855

CO/N=C/c1ccnc(C(C)(C)C)c1N

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.32
▸ RET P07949 1/20 0.32
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 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
SCHEMBL21709897 0.81 SMN1; SMN2 (0.39) —
SCHEMBL19769054 0.75 ADRA2A (0.35) KDRRETADRA1DADRA1AADRA1B
SCHEMBL19769066 0.75 ADRA2A (0.35) KDRRETADRA1DADRA1AADRA1B
SCHEMBL21709863 0.75 NOS3 (0.31) —
SCHEMBL17075277 0.75 CCR1 (0.41) —
SCHEMBL21883612 0.73 TLR7 (0.32) ADRA1DADRA1AADRA1B
SCHEMBL20621302 0.71 ADRA2A (0.33) KDRADRA1DADRA1AADRA1BADRA2A
SCHEMBL21709866 0.66 NOS2 (0.56) —
SCHEMBL22096897 0.65 NOS3 (0.34) —
SCHEMBL12757021 0.65 MEN1 (0.49) —

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 KDR 1432/4885RET 810/4885ADRA1D 412/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 KDR 1432/4885RET 810/4885ADRA1D 412/4885

“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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