SCHEMBL19730690

SCHEMBL19730690

O=C(CN1CCCC[C@H]1c1cc2nc(N3CCC3)ccn2n1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.41
▸ TMEM97 Q5BJF2 7/20 0.41
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ AADAT Q8N5Z0 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL222279 0.89 SIGMAR1 (0.51) SIGMAR1TMEM97AADAT
SCHEMBL15503355 0.77 AADAT (0.47) SIGMAR1TMEM97AADAT
SCHEMBL15957792 0.74 SIGMAR1 (0.49) SIGMAR1TMEM97AADAT
SCHEMBL24672521 0.73 SIGMAR1 (0.43) SIGMAR1TMEM97CYP2C19
SCHEMBL15514911 0.72 SIGMAR1 (0.42) SIGMAR1TMEM97AADAT
SCHEMBL222561 0.72 SIGMAR1 (0.42) SIGMAR1TMEM97AADAT
SCHEMBL18734805 0.70 SMN1; SMN2 (0.51) SIGMAR1CD274
SCHEMBL19880369 0.70 SMN1; SMN2 (0.51) SIGMAR1CD274
SCHEMBL19880370 0.70 SMN1; SMN2 (0.51) SIGMAR1CD274
SCHEMBL221805 0.68 SIGMAR1 (0.47) SIGMAR1TMEM97AADAT

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-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 — — US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 — — 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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS SIGMAR1 3564/4885TMEM97 3929/4885PDCD1 2045/4885

“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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