SCHEMBL20029271

SCHEMBL20029271

c1cc(-c2cncn3ccnc23)n2cncc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.50
SRC P12931 1/20 0.35
TBXAS1 P24557 13/20 0.34
FLT1 P17948 1/20 0.33
CDK8 P49336 1/20 0.33
CDK9 P50750 1/20 0.33
LIMK1 P53667 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DRD1 P21728 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PTGIS Q16647 1/20 0.32
CYP1A2 P05177 1/20 0.31
IDO1 P14902 1/20 0.30
PRKCI P41743 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
SCHEMBL10831208 0.72 CDK2 (0.42) CYP11B2SRC
SCHEMBL3540598 0.68 CYP11B2 (0.65) CYP11B2TBXAS1CDK8CDK9LIMK1
SCHEMBL10830618 0.67 RAB9A (0.47) PTGS2CYP1A2
SCHEMBL3534128 0.67 CYP11B2 (1.00) CYP11B2TBXAS1IDO1
Hydrochloric Acid SCHEMBL3535788 0.67 CYP11B2 (0.63) CYP11B2TBXAS1CDK8CDK9LIMK1
SCHEMBL25652325 0.67 CYP11B2 (0.48) CYP11B2TBXAS1PTGS1PTGS2PTGIS
SCHEMBL21323991 0.67 CYP11B2 (0.55) CYP11B2TBXAS1
Hydrochloric Acid SCHEMBL3539978 0.66 CYP11B2 (0.97) CYP11B2TBXAS1IDO1
SCHEMBL9261340 0.65 CYP11B2 (0.60) CYP11B2TBXAS1IDO1
SCHEMBL3536508 0.64 CYP11B2 (0.55) CYP11B2SRCTBXAS1CDK8CDK9

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-10166214-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2019-01-01 US disclosed
US-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2018-04-05 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-20180092880-A1 SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR3, SSTR1 CYP11B2 2088/4885SRC 3001/4885TBXAS1 830/4885
US-10166214-B2 Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 CYP11B2 2088/4885SRC 3001/4885TBXAS1 830/4885

“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.