SCHEMBL17001572

SCHEMBL17001572

Cc1ncsc1C(C#N)N1CCOC(c2cnn(C)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.53
▸ CHRM2 P08172 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ CHEK1 O14757 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
SCHEMBL18371704 0.82 P2RX7 (0.59) P2RX7
SCHEMBL20036452 0.81 P2RX7 (0.65) P2RX7
SCHEMBL18371689 0.79 P2RX7 (0.46) P2RX7CHRM2HTR1ADRD3HTR2B
SCHEMBL18371692 0.76 P2RX7 (0.58) P2RX7CHRM2HTR1ADRD3HTR2B
SCHEMBL18379995 0.76 P2RX7 (0.58) P2RX7CHRM2HTR1ADRD3HTR2B
SCHEMBL16995081 0.74 ALDH1A1 (0.46) P2RX7
SCHEMBL26161869 0.73 DRD3 (0.49) P2RX7CHRM2HTR1ADRD3HTR2B
SCHEMBL17001590 0.67 P2RX7 (1.00) P2RX7
SCHEMBL26340591 0.67 DRD3 (0.36) P2RX7DRD3CHEK1
SCHEMBL18371701 0.66 P2RX7 (0.49) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102573-B1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM SPA (IT) 2018-04-11 — — EP disclosed
US-9718812-B2 Substituted thiazole or oxazole P2X7 receptor antagonists AXXAM S.P.A. (IT) 2017-08-01 — — US disclosed
US-9718812-B2 Substituted thiazole or oxazole P2X7 receptor antagonists AXXAM S.P.A. (IT) 2017-08-01 — — US disclosed
US-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2017-01-12 — — US disclosed
US-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2017-01-12 — — US disclosed
WO-2015118019-A9 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2016-04-21 — — WO disclosed
WO-2015118019-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2015-08-13 — — WO 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-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX2 P2RX7 1/4885CHRM2 1751/4885HTR1A 495/4885

“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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