SCHEMBL11893202

SCHEMBL11893202

CC(C)c1nn(C)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.36
PPARG P37231 1/20 0.35
GAA P10253 3/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL20141 0.83 IRAK4 (0.35) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3258066 0.83 GAA (0.33) GAAALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL19321638 0.83 ADORA2A (0.38) GAARAB9APOLBL3MBTL1
SCHEMBL11893139 0.83 RAB9A (0.34) PPARAGAAALDH1A1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL1032497 0.81 IRAK4 (0.34) GAALMNAPOLB
Hydrochloric Acid SCHEMBL8932295 0.81 IRAK4 (0.34) GAALMNAPOLB
SCHEMBL28726067 0.81 IRAK4 (0.35) GAA
SCHEMBL23142702 0.80 MAPT (0.40) GAAALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5652284 0.80 GAA (0.35) GAAALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL13095835 0.80 GAA (0.44) GAAALDH1A1SMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
US-20210378242-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2021-12-09 US disclosed
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2020-02-21 CN disclosed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
US-10405548-B2 Fungicidal compositions SYNGENTA CROP PROTECTION LLC (US) 2019-09-10 US disclosed
US-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 US disclosed
US-9949482-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2018-04-24 US disclosed
US-9949482-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2018-04-24 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-8536089-B2 For controlling phytopathogenic diseases; synergistic SYNGENTA CROP PROTECTION LLC (US) 2013-09-17 US disclosed
US-8269013-B2 Substituted pyrazole inhibitors of c-Met protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
EP-2332411-B1 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2012-07-25 EP disclosed
CN-102388045-A Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO 2012-03-21 CN disclosed
EP-2332411-A1 Fungicidal compositions Syngenta Participations AG (CH) 2011-06-15 EP disclosed
EP-1778013-B1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2011-01-26 EP disclosed
WO-2010138663-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 WO disclosed
US-20100305155-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 US disclosed
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic SYNGENTA CROP PROTECTION, INC. (US) 2008-03-20 US disclosed
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic SYNGENTA CROP PROTECTION, INC. (US) 2008-03-20 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 (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-20210378242-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 PPARA 2097/4885PPARG 2039/4885GAA 56/4885
US-20100305155-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE MET, BRAF, DMPK PPARA 2374/4885PPARG 1409/4885GAA 4110/4885
US-10344026-B2 Compositions and methods of targeting mutant K-ras KRAS, NRAS, HRAS PPARA 3613/4885PPARG 2489/4885GAA 1776/4885
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS PPARA 3613/4885PPARG 2489/4885GAA 1776/4885
US-10405548-B2 Fungicidal compositions PIK3C3, CYP51A1, CYP1B1 PPARA 2097/4885PPARG 2039/4885GAA 56/4885
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic BROX, EPM2A, MANBA PPARA 2022/4885PPARG 2281/4885GAA 11/4885

“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.