SCHEMBL5455027

SCHEMBL5455027

CC[N]c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
PSIP1 O75475 1/20 0.35
ALPG P10696 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6548997 0.82 REV1 (0.40) HSD11B1ACHESMN1; SMN2KDM4EALDH1A1
SCHEMBL442008 0.73 TSHR (0.43) HSD11B1ACHESMN1; SMN2KMT2AMAPT
SCHEMBL3110354 0.72
SCHEMBL1547450 0.72
SCHEMBL5263526 0.72 PBRM1 (0.43) KMT2AKDM4EALDH1A1TDP1GAA
SCHEMBL9122224 0.71 NOS3 (0.47) KMT2AMAPTMEN1ALPGKDM4E
SCHEMBL4243231 0.71 SIGMAR1 (0.44) MAPTALDH1A1L3MBTL1GAA
SCHEMBL5580251 0.71 L3MBTL1 (0.54) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL5370457 0.71 MAPT (0.54) SMN1; SMN2KMT2AMAPTMEN1KDM4E
SCHEMBL4045847 0.71 TDP1 (0.33) HSD11B1ACHESMN1; SMN2KMT2AMAPT

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-113512029-A Preparation and application of substituted pyrazole compound containing pyrimidinamine 沈阳中化农药化工研发有限公司 2021-10-19 CN claimed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US claimed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP claimed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US claimed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US claimed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US claimed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US claimed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP claimed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO claimed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP claimed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 WO claimed
CN-113105334-B Perovskite single crystal and preparation method and application thereof 上海科技大学 2023-08-22 CN disclosed
CN-113105334-B Perovskite single crystal and preparation method and application thereof 上海科技大学 2023-08-22 CN disclosed
CN-113512029-B Preparation and application of substituted pyrazole compound containing pyrimidinamine 沈阳中化农药化工研发有限公司 2023-01-24 CN disclosed
CN-113512029-A Preparation and application of substituted pyrazole compound containing pyrimidinamine 沈阳中化农药化工研发有限公司 2021-10-19 CN disclosed
US-6420536-B1 COMPOUNDS FOR USE IN THE TREATMENT AND PREVENTION OF BACTERIAL AND PROTOZOAN INFECTIONS PFIZER INC 2002-07-16 US disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 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 (2 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF HSD11B1 884/4885ACHE 4509/4885SMN1; SMN2 4361/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 HSD11B1 3077/4885ACHE 1229/4885SMN1; SMN2 2049/4885

“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.