SCHEMBL1012186

SCHEMBL1012186

CCOC(=O)/C(=C\N(C)C)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
DHODH Q02127 2/20 0.44
PLIN1 O60240 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 2/20 0.43
NR1H4 Q96RI1 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
SCHEMBL1965188 1.00 MAPT (0.56) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL16597891 0.89 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL16597890 0.89 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL16613212 0.89 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL18017493 0.88 DHODH (0.50) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL184027 0.88 DHODH (0.50) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL184026 0.88 DHODH (0.50) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5479653 0.85 KMT2A (0.48) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5479654 0.85 KMT2A (0.48) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3412173 0.85 CYP11B1 (0.54) MAPTALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
US-10702531-B2 Pyrazolopyrimidine compound as PI3K inhibitor and use thereof Shenzhen Bo Li Jian Medicine Co., LTD. (CN) 2020-07-07 US disclosed
US-20190255057-A1 PYRAZOLOPYRIMIDINE COMPOUND AS PI3K INHIBITOR AND USE THEREOF Shenzhen Bo Li Jian Medicine Co., LTD. (CN) 2019-08-22 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed
US-4245106-A IN THE PRESENCE OF ACETIC ACID MONSANTO COMPANY (US) 1981-01-13 US disclosed
US-4116673-A HERBICIDES MONSANTO COMPANY (US) 1978-09-26 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 (7 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 MAPT 602/4885ALDH1A1 1375/4885MEN1 2088/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 MAPT 602/4885ALDH1A1 1375/4885MEN1 2088/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 MAPT 602/4885ALDH1A1 1375/4885MEN1 2088/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 MAPT 1419/4885ALDH1A1 2292/4885MEN1 525/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 MAPT 602/4885ALDH1A1 1375/4885MEN1 2088/4885
US-20190255057-A1 PYRAZOLOPYRIMIDINE COMPOUND AS PI3K INHIBITOR AND USE THEREOF PIK3CA, PIK3CD, PIP4K2B MAPT 4146/4885ALDH1A1 3025/4885MEN1 2074/4885
US-10702531-B2 Pyrazolopyrimidine compound as PI3K inhibitor and use thereof PIK3CA, PIK3CD, PIP4K2B MAPT 4146/4885ALDH1A1 3025/4885MEN1 2074/4885

“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.