SCHEMBL2760234

SCHEMBL2760234

O=C(O)[C@@H]1C[C@H](C(F)(F)F)CCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIA1 P42261 1/20 0.45
▸ GRIA2 P42262 1/20 0.45
▸ GRIA3 P42263 1/20 0.45
▸ GRIA4 P48058 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ ARG1 P05089 1/20 0.44
▸ CYP2D6 P10635 2/20 0.39

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
SCHEMBL16056994 1.00 ALOX15 (0.45) ALOX15CYP1A2CYP2C19MEN1ALDH1A1
Hydrochloric Acid SCHEMBL25333656 0.98 CYP1A2 (0.44) ALOX15CYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL29537341 0.83 NOS2 (0.38) ALOX15CYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL29035030 0.81 ALOX15 (0.45) ALOX15CYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL24108860 0.81 ALOX15 (0.45) ALOX15CYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL21128551 0.81 ALOX15 (0.45) ALOX15CYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL11055982 0.80 CYP2D6 (0.52) ALOX15CYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL22636047 0.80 CYP2D6 (0.52) ALOX15CYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL10481487 0.80 CYP2D6 (0.52) ALOX15CYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL19000621 0.80 CYP2D6 (0.52) ALOX15CYP1A2CYP2C19MEN1ALDH1A1

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 13 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
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 — — US disclosed
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2016-05-12 — — US disclosed
EP-3012258-A1 PYRAZOLO[1,5-A]PYRIMIDINES AND -TRIAZINES AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2016-04-27 — — EP disclosed
EP-2585467-B1 PYRAZOLO[1,5-A]PYRIMIDINES AND -TRIAZINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-03-02 — — EP disclosed
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 — — US disclosed
US-8809330-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-06-05 — — US disclosed
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2014-03-13 — — US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 — — US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 — — US disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 — — 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 (6 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-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS ALOX15 1591/4885CYP1A2 1319/4885CYP2C19 231/4885
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS ALOX15 1591/4885CYP1A2 1319/4885CYP2C19 231/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS ALOX15 1591/4885CYP1A2 1319/4885CYP2C19 231/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS ALOX15 1591/4885CYP1A2 1319/4885CYP2C19 231/4885
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS ALOX15 1591/4885CYP1A2 1319/4885CYP2C19 231/4885
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS ALOX15 1591/4885CYP1A2 1319/4885CYP2C19 231/4885

“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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