SCHEMBL16679883

SCHEMBL16679883

C=CCOCc1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALOX15 P16050 1/20 0.44
CA1 P00915 4/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CYP3A4 P08684 1/20 0.39
IDO1 P14902 1/20 0.39
ALOX5 P09917 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AGXT P21549 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
TACR1 P25103 2/20 0.36
TEAD3 Q99594 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL20953940 0.92 TSHR (0.61) TSHRALOX15CA1CA2CA7
SCHEMBL149658 0.92 TSHR (0.61) TSHRALOX15CA1CA2CA7
SCHEMBL5035399 0.90 TSHR (0.58) TSHRALOX15CA1CA2CA7
Ammonia Solution, Strong SCHEMBL27983434 0.90 TSHR (0.58) TSHRALOX15CA1CA2CA7
SCHEMBL27864528 0.83 TSHR (0.50) TSHRALOX15CA1CA2CA7
SCHEMBL3814937 0.82 TSHR (0.54) TSHRALOX15CA1CA2CA7
SCHEMBL29026713 0.81 TSHR (0.48) TSHRALOX15CA1CA2CA7
SCHEMBL4778780 0.81 TSHR (0.42) TSHRALOX15CA1CA2CA7
Dimethylformamide SCHEMBL28290916 0.79 TSHR (0.45) TSHRALOX15CA1CA2CA7
SCHEMBL27837904 0.78 TSHR (0.54) TSHRALOX15CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024524-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2024-07-02 US disclosed
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
CN-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 CN disclosed
US-20230081548-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN RESEARCH & DEVELOPMENT, LLC 2022-12-22 US disclosed
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 US disclosed
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
EP-3226688-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES Merck Sharp & Dohme Corp. (US) 2017-10-11 EP disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 US disclosed
EP-3063143-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS Novartis AG (CH) 2016-09-07 EP disclosed
WO-2016089797-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
US-9242996-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 US disclosed
WO-2015066188-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 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 (13 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-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 TSHR 481/4885ALOX15 616/4885CA1 4571/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 TSHR 481/4885ALOX15 616/4885CA1 4571/4885
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 TSHR 3255/4885ALOX15 4312/4885CA1 2663/4885
US-12024524-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 TSHR 481/4885ALOX15 616/4885CA1 4571/4885
US-20230081548-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 TSHR 481/4885ALOX15 616/4885CA1 4571/4885
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 TSHR 481/4885ALOX15 616/4885CA1 4571/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 TSHR 481/4885ALOX15 616/4885CA1 4571/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 TSHR 3255/4885ALOX15 4312/4885CA1 2663/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 TSHR 1863/4885ALOX15 1446/4885CA1 1229/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 TSHR 1863/4885ALOX15 1446/4885CA1 1229/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 TSHR 3255/4885ALOX15 4312/4885CA1 2663/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 TSHR 1863/4885ALOX15 1446/4885CA1 1229/4885
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES IDH3A, IDH3B, IDH2 TSHR 4463/4885ALOX15 3033/4885CA1 1741/4885

“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.