SCHEMBL217425

SCHEMBL217425

[NH]C(=O)c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.65
▸ CES1 P23141 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ GAA P10253 1/20 0.54
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HPGD P15428 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PTPN1 P18031 1/20 0.48
▸ ERCC5 P28715 1/20 0.48
▸ FEN1 P39748 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ ALB P02768 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL218840 0.81 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL9545865 0.81 ALDH1A1 (0.53) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL2156696 0.79 CES2 (1.00) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30293901 0.79 CES2 (0.71) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL250099 0.79 CES2 (0.71) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL97828 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL2164455 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL31574193 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL5180748 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30968201 0.77 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730914-B2 3,5-diaminopyrazole kinase inhibitors Axikin Pharmaceuticals (US) 2017-08-15 — — US claimed
US-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-30 — — US claimed
US-9546163-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-17 — — US claimed
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2016-06-23 — — US claimed
WO-2009032840-A1 FLUORINE- SUBSTITUTED 2 ', 6 ' -DIMETHYL-L-TYROSINE-1, 2,3, 4-TETRAHYDR0IS0QUIN0LINE-3-CARB0XYLIC ACID PEPTIDES (DMT-TIC) FOR USE AS MYU- AND DELTA-OPIOID RECEPTOR PROBES IN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-12 — — WO claimed
EP-0862567-B1 5-AZABICYCLO(3.1.0)HEXYLALKYL-2-PIPERIDONES AND -GLUTARIMIDES AS NEUROKININ RECEPTOR ANTAGONISTS PFIZER LTD (GB) 2001-08-01 — — EP claimed
US-6034082-A 5-azabicyclo(3.1.0)hexylalkyl-2-piperiodones and --glutarimides as neurokinin receptor antagonists PFIZER INC. (US) 2000-03-07 — — US claimed
EP-0973767-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS Dupont Pharmaceuticals Company (US) 2000-01-26 — — EP claimed
US-5985867-A TREATING HIV INFECTION DUPONT PHARMACEUTICALS COMPANY (US) 1999-11-16 — — US claimed
JP-2978566-B2 — — 1999-11-15 — — JP claimed
WO-1998043969-A1 INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY (US) 1998-10-08 — — WO claimed
EP-0862567-A1 5-AZABICYCLO(3.1.0)HEXYLALKYL-2-PIPERIDONES AND -GLUTARIMIDES AS NEUROKININ RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1998-09-09 — — EP claimed
WO-1997019942-A1 5-AZABICYCLO(3.1.0)HEXYLALKYL-2-PIPERIDONES AND -GLUTARIMIDES AS NEUROKININ RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1997-06-05 — — WO claimed
CN-107250116-B 3, 5-diaminopyrazole kinase inhibitors 艾士盟医疗公司 2020-10-27 — — CN disclosed
EP-3237407-B1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS SMA THERAPEUTICS INC (US) 2020-04-15 — — EP disclosed
EP-3428202-A1 PROCESS OF PRODUCING POLYOLEFINS USING METALLOCENE POLYMERIZATION CATALYSTS AND COPOLYMERS THEREFROM ExxonMobil Chemical Patents Inc. (US) 2019-01-16 — — EP disclosed
US-5238903-A Azo-methine dye on support FUJI PHOTO FILM CO., LTD. (JP) 1993-08-24 — — US disclosed
US-5227359-A Pyrazoloazole dyes FUJI PHOTO FILM CO., LTD. (JP) 1993-07-13 — — US disclosed
US-5210200-A Fast to heat and light FUJI PHOTO FILM CO., LTD. (JP) 1993-05-11 — — US disclosed
US-5128312-A Thermal transfer dye donating material FUJI PHOTO FILM CO., LTD. (JP) 1992-07-07 — — 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 (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-20170087131-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 CES2 3771/4885CES1 2350/4885ALDH1A1 2717/4885
US-20160176857-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, PRKAG3 CES2 3771/4885CES1 2350/4885ALDH1A1 2717/4885

“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.

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