SCHEMBL20153230

SCHEMBL20153230

CCCCCCCCN1CCC2(CC1)CNC2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR5 Q9H228 2/20 0.49
GNAO1 P09471 8/20 0.49
GNAI3 P08754 7/20 0.49
GNAI1 P63096 7/20 0.49
S1PR4 O95977 1/20 0.44
SIGMAR1 Q99720 4/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL24970676 0.98 S1PR1 (0.46) S1PR1S1PR3S1PR5GNAO1GNAI3
SCHEMBL23921701 0.92 TSHR (0.44) S1PR1S1PR3S1PR5GNAO1GNAI3
SCHEMBL347104 0.84 TSHR (0.47) S1PR1S1PR3S1PR5SIGMAR1TSHR
SCHEMBL23767360 0.84 S1PR1 (0.53) S1PR1S1PR3S1PR5GNAO1GNAI3
SCHEMBL30150906 0.81 TSHR (0.50) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL30150905 0.81 TSHR (0.50) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL26894648 0.81 GNAO1 (0.43) S1PR1S1PR3S1PR5GNAO1GNAI3
SCHEMBL23767362 0.79 S1PR1 (0.51) S1PR1S1PR3S1PR5GNAO1GNAI3
SCHEMBL22859605 0.78 S1PR1 (0.49) S1PR1S1PR3S1PR5GNAO1GNAI3
SCHEMBL20442721 0.76 TSHR (0.38) S1PR1S1PR3S1PR5TSHR

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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF S1PR1 2558/4885S1PR3 2249/4885S1PR5 2457/4885

“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.