SCHEMBL12293237

SCHEMBL12293237

CC(C)(C)c1ccnn1CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
CNR2 P34972 2/20 0.35
ADRA1A P35348 1/20 0.33
MAPK14 Q16539 1/20 0.32
HTR3A P46098 1/20 0.30

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
SCHEMBL27680962 0.84 SLC6A2 (0.35) CYP17A1CYP1A2ADRA1A
SCHEMBL22678981 0.81 CNR2 (0.43) CNR2
SCHEMBL13750403 0.78 MAPK1 (0.33) CNR2
SCHEMBL21539535 0.78 ADRA1A (0.34) CYP17A1CYP1A2ADRA1A
SCHEMBL2600522 0.78 CCNK (0.35)
SCHEMBL12293132 0.76 CNR1 (0.38) CYP1A2CNR2ADRA1A
SCHEMBL15072856 0.76 MAPK1 (0.46) CYP17A1CYP1A2ADRA1A
SCHEMBL24650682 0.76
SCHEMBL25071164 0.75
SCHEMBL12866736 0.74 CYP17A1 (0.36) CYP17A1CYP1A2ADRA1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-20230053746-A1 IL-17 LIGANDS AND USES THEREOF DICE MOLECULES SV, INC. 2023-02-23 US disclosed
US-20220160686-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS Fulcrum Therapeutics, Inc. 2022-05-26 US disclosed
US-10973805-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators Fulcrum Therapeutics, Inc. (US) 2021-04-13 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20200360353-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS Fulcrum Therapeutics, Inc. 2020-11-19 US disclosed
US-20200247785-A1 IL-17 Ligands And Uses Thereof DICE MOLECULES SV, INC. 2020-08-06 US disclosed
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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 (11 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 CYP17A1 641/4885CYP1A2 15/4885CNR2 1446/4885
US-20230053746-A1 IL-17 LIGANDS AND USES THEREOF IL17A, IL2, IL15 CYP17A1 244/4885CYP1A2 1937/4885CNR2 2376/4885
US-10973805-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators EED, EZH2, BMI1 CYP17A1 2693/4885CYP1A2 1485/4885CNR2 3385/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 CYP17A1 1778/4885CYP1A2 3516/4885CNR2 4271/4885
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 CYP17A1 2009/4885CYP1A2 1964/4885CNR2 733/4885
US-20200247785-A1 IL-17 Ligands And Uses Thereof IL17A, IL2, IL15 CYP17A1 244/4885CYP1A2 1937/4885CNR2 2376/4885
US-20220160686-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS EED, EZH2, BMI1 CYP17A1 2693/4885CYP1A2 1485/4885CNR2 3385/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 CYP17A1 2009/4885CYP1A2 1964/4885CNR2 733/4885
US-20200360353-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS EED, EZH2, BMI1 CYP17A1 2728/4885CYP1A2 1600/4885CNR2 3498/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 CYP17A1 709/4885CYP1A2 21/4885CNR2 265/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B CYP17A1 1137/4885CYP1A2 1979/4885CNR2 3355/4885

“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.