SCHEMBL12074798

SCHEMBL12074798

CC(C)c1cc(Cl)ccc1NC(=O)C1CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.62
▸ ALDH1A1 P00352 4/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ LPAR1 Q92633 3/20 0.49
▸ LMNA P02545 1/20 0.48
▸ F10 P00742 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43

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
SCHEMBL2737255 0.82 LPAR1 (0.43) KMT2AALDH1A1NPC1RAB9ALPAR1
SCHEMBL15765838 0.80 ALDH1A1 (0.71) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL2737368 0.80 KDM4E (0.58) KMT2ANPC1RAB9ALPAR1LMNA
SCHEMBL3711806 0.80 RAB9A (0.73) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL15503309 0.78 ALDH1A1 (0.71) ALDH1A1LPAR1LMNAGAAHPGD
SCHEMBL17553983 0.78 KMT2A (0.64) KMT2AALDH1A1NPC1RAB9ACASP3
Bicarbonate SCHEMBL19664773 0.77 RAB9A (0.69) KMT2AALDH1A1NPC1RAB9ALMNA
SCHEMBL2737370 0.77 LPAR1 (0.56) KMT2AALDH1A1LPAR1LMNAMEN1
SCHEMBL29721874 0.75 KMT2A (0.65) KMT2AALDH1A1NPC1RAB9ACASP3
SCHEMBL28734357 0.75 KMT2A (0.65) KMT2AALDH1A1NPC1RAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 — — 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
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 — — US disclosed
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-06-05 — — 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 (3 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 KMT2A 3648/4885ALDH1A1 1823/4885NPC1 994/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KMT2A 3648/4885ALDH1A1 1823/4885NPC1 994/4885
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KMT2A 3648/4885ALDH1A1 1823/4885NPC1 994/4885

“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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