SCHEMBL221627

SCHEMBL221627

CS(=O)(=O)Nc1ccc(N)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
THRB P10828 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MCL1 Q07820 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
TNF P01375 1/20 0.49
HSPD1 P10809 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL222213 0.81 METAP2 (0.68) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL221687 0.80 METAP2 (0.53) KMT2AALDH1A1MEN1MCL1KDM4E
SCHEMBL219601 0.80 ALDH1A1 (0.71) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL30100431 0.80 ACLY (0.66) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL31046886 0.80 METAP2 (0.53) KMT2AALDH1A1MEN1MCL1KDM4E
SCHEMBL219920 0.80 ACLY (0.66) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL28047975 0.80 KDM4E (0.50) KMT2AALDH1A1MEN1MCL1KDM4E
SCHEMBL9535456 0.79 AKR1C3 (0.60) ALDH1A1
SCHEMBL15456919 0.78 ALDH1A1 (0.47) KMT2AALDH1A1MEN1TDP1MCL1
SCHEMBL3244812 0.78 L3MBTL1 (0.42) KMT2AALDH1A1MEN1MAPTRECQL

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188754-B2 Compositions and methods for chemical exchange saturation transfer (CEST) based magnetic resonance imaging (MRI) THE JOHNS HOPKINS UNIVERSITY (US) 2019-01-29 US disclosed
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2018-10-18 US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 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-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2014-03-13 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-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 US disclosed
EP-2585467-A1 PYRAZOLO [1, 5 -A]PYRIMIDINES AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2013-05-01 EP disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 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
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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KMT2A 3648/4885ALDH1A1 1823/4885MEN1 3578/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KMT2A 3648/4885ALDH1A1 1823/4885MEN1 3578/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KMT2A 3648/4885ALDH1A1 1823/4885MEN1 3578/4885
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KMT2A 3648/4885ALDH1A1 1823/4885MEN1 3578/4885
US-10188754-B2 Compositions and methods for chemical exchange saturation transfer (CEST) based magnetic resonance imaging (MRI) GART, SLC43A1, AADAT KMT2A 904/4885ALDH1A1 1113/4885MEN1 2520/4885
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KMT2A 3648/4885ALDH1A1 1823/4885MEN1 3578/4885

“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.