SCHEMBL33199

SCHEMBL33199

Cc1c(N)cnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SLC9A1 P19634 1/20 0.50
SLC9A2 Q9UBY0 1/20 0.50
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 1/20 0.47
GRM4 Q14833 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
SMO Q99835 1/20 0.46
RIPK2 O43353 1/20 0.46
ALDH1A1 P00352 2/20 0.45
APP P05067 1/20 0.45

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
SCHEMBL9969915 0.84 XDH (0.50) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL25246125 0.82 CYP1A2 (0.38) MAPK1SMN1; SMN2NPC1RAB9ASLC9A1
SCHEMBL17619445 0.82 KMT2A (0.57) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL2689168 0.82 CYP2A6 (0.45) MAPK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9930268 0.81 MEN1 (0.50) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL5021185 0.81 NPC1 (0.45) SMN1; SMN2NPC1RAB9AMAPTKMT2A
Hydrochloric Acid SCHEMBL16245892 0.79 NPC1 (0.44) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL3841619 0.79 MAPK1 (0.58) MAPK1SMN1; SMN2NPC1RAB9ASLC9A1
SCHEMBL1753026 0.79 NPC1 (0.63) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL17619423 0.79 NPBWR1 (0.42) MAPK1NPC1RAB9AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US claimed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO claimed
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 EP disclosed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 EP disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-7592338-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US disclosed
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP disclosed
US-7253170-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
US-7253170-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO disclosed
EP-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP 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 (5 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPK1 309/4885SMN1; SMN2 882/4885NPC1 4398/4885
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 MAPK1 3198/4885SMN1; SMN2 2274/4885NPC1 1193/4885
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease MAPK1, MAPK3, MAPK4 MAPK1 1/4885SMN1; SMN2 2335/4885NPC1 3995/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPK1 280/4885SMN1; SMN2 986/4885NPC1 4434/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPK1 280/4885SMN1; SMN2 986/4885NPC1 4434/4885

“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.