SCHEMBL8966436

SCHEMBL8966436

C=CC(=O)NCc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 1.00
LMNA P02545 4/20 0.55
F13A1 P00488 1/20 0.55
TGM1 P22735 1/20 0.55
TGM3 Q08188 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 6/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 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
SCHEMBL732934 0.90 TGM2 (0.81) TGM2LMNAMEN1KMT2ACYP2C19
SCHEMBL2722983 0.85 TGM2 (0.74) TGM2LMNAF13A1TGM1TGM3
SCHEMBL2452377 0.83 TGM2 (0.71) TGM2LMNAMEN1KMT2ACYP2C19
SCHEMBL124217 0.83 TGM2 (0.71) TGM2LMNACYP2C19ALDH1A1TSHR
SCHEMBL2724915 0.82 TGM2 (0.70) TGM2LMNAMEN1KMT2ACYP2C19
SCHEMBL3298245 0.81 TGM2 (0.69) TGM2LMNACYP2C19ALDH1A1CYP2C9
SCHEMBL4927519 0.81 TGM2 (0.69) TGM2LMNAMEN1KMT2ACYP2C19
SCHEMBL2723387 0.81 TGM2 (0.69) TGM2LMNAMEN1KMT2ACYP2C19
SCHEMBL5071229 0.81 TGM2 (0.69) TGM2LMNAL3MBTL1MEN1KMT2A
SCHEMBL9179038 0.81 TGM2 (0.69) TGM2LMNAMEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212142-A9 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-07-06 US disclosed
US-20230212142-A9 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-07-06 US disclosed
US-20220194924-A1 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-06-23 US disclosed
EP-3946288-A1 SUBSTITUTED 5-CYCLOPROPYL-1H-PYRAZOL-3-YL-AMINE DERIVATIVES AS SELECTIVE CDK12/13 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2022-02-09 EP disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
CN-113727707-A Substituted 5-cyclopropyl-1H-pyrazol-3-yl-amine derivatives as selective CDK12/13 inhibitors 奥里吉恩发现科技有限公司 2021-11-30 CN disclosed
WO-2020202001-A1 SUBSTITUTED 5-CYCLOPROPYL-1H-PYRAZOL-3-YL-AMINE DERIVATIVES AS SELECTIVE CDK12/13 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-10-08 WO disclosed
WO-2020202001-A1 SUBSTITUTED 5-CYCLOPROPYL-1H-PYRAZOL-3-YL-AMINE DERIVATIVES AS SELECTIVE CDK12/13 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-10-08 WO disclosed
US-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-27 US disclosed
US-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-27 US disclosed
CN-109689714-A Silicone hydrogels comprising N-alkylmethacrylamides and contact lenses made therefrom 庄臣及庄臣视力保护公司 2019-04-26 CN disclosed
WO-2018144871-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144870-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144870-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144871-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
EP-0490269-B1 Graft copolymer and process for producing the same IDEMITSU KOSAN CO (JP) 1996-02-28 EP disclosed
US-5250629-A Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts IDEMITSU KOSAN CO., LTD. (JP) 1993-10-05 US disclosed
EP-0490269-A1 Graft copolymer and process for producing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-06-17 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 (4 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-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 RTN4, RTN3, RCN1 TGM2 2492/4885LMNA 2148/4885F13A1 3453/4885
US-20230212142-A9 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors CDK1, CDK12, CDK13 TGM2 2799/4885LMNA 885/4885F13A1 2125/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 TGM2 3684/4885LMNA 3321/4885F13A1 4169/4885
US-20220194924-A1 Substituted 5-Cyclopropyl-1H-pyrazole-3-yl-amine Derivatives as Selective CDK12/13 Inhibitors CDK1, CDK12, CDK13 TGM2 2799/4885LMNA 885/4885F13A1 2125/4885

“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.