SCHEMBL14636626

SCHEMBL14636626

CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2F)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.45
GRM5 P41594 1/20 0.45
BTK Q06187 10/20 0.45
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SRC P12931 2/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
FGR P09769 1/20 0.41
CSK P41240 1/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
FRK P42685 1/20 0.41
BLK P51451 1/20 0.41

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
SCHEMBL29792072 1.00 LIPE (0.45) LIPEGRM5BTKALOX15TSHR
SCHEMBL14654016 0.93 LIPE (0.41) LIPEGRM5BTKBRAF
SCHEMBL15894499 0.90 ABL1 (0.45) LIPEGRM5BTKALOX15TSHR
SCHEMBL15878272 0.90 LIPE (0.45) LIPEGRM5BTKALOX15TSHR
SCHEMBL17892660 0.89 LIPE (0.47) LIPEGRM5BTKALOX15TSHR
SCHEMBL15877846 0.88 LIPE (0.44) LIPEGRM5BTKALOX15TSHR
SCHEMBL20995608 0.87 CXCR2 (0.47) GRM5MAPK14
SCHEMBL31187063 0.87 BTK (0.48) LIPEGRM5BTK
SCHEMBL14653740 0.87 BTK (0.48) LIPEGRM5BTK
SCHEMBL14654014 0.86 NPC1 (0.52) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2025-03-06 US disclosed
EP-3240542-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 US disclosed
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
CN-112209933-B BTK inhibitors containing 4-azacycloheptane 正大天晴药业集团股份有限公司 2023-09-08 CN disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 US disclosed
WO-2023110970-A1 MACROCYCLIC BTK INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
EP-4186906-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2023-05-31 EP disclosed
CN-112424203-B Bruton's tyrosine kinase inhibitors 正大天晴药业集团股份有限公司 2022-07-26 CN disclosed
WO-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 US disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 US disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 US disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 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 (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-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN LIPE 3810/4885GRM5 3651/4885BTK 1/4885
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE1, WEE2 LIPE 3790/4885GRM5 3167/4885BTK 1/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 LIPE 2262/4885GRM5 1528/4885BTK 1/4885
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS BTK, LYN, LCK LIPE 3893/4885GRM5 3918/4885BTK 1/4885

“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.