SCHEMBL3276601

SCHEMBL3276601

Fc1ccc(Br)c2c1CN(Cc1ccccc1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
PTGER2 P43116 2/20 0.39
PNMT P11086 1/20 0.39
ACHE P22303 2/20 0.38
CYP2A13 Q16696 2/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3275604 0.80 CYP1A2 (0.49) CYP1A2SIGMAR1PTGER2PNMTCYP2D6
SCHEMBL4525709 0.78 SIGMAR1 (0.44) CLPPKCNH2CYP1A2ALOX15CYP2C19
SCHEMBL3277734 0.77 CYP1A2 (0.49) CYP1A2SIGMAR1PTGER2
SCHEMBL3276484 0.75 CYP2D6 (0.46) CLPPCYP1A2ALOX15CYP2C19SIGMAR1
SCHEMBL3275684 0.72 KCNH2 (0.39) CLPPKCNH2
SCHEMBL3283453 0.72 CYP1A2 (0.46) CYP1A2SIGMAR1PTGER2ACHE
SCHEMBL3276248 0.69 CYP1A2 (0.43) CYP1A2SIGMAR1PTGER2PNMT
SCHEMBL2902591 0.68 SIGMAR1 (0.52) CYP1A2SIGMAR1CYP2D6
SCHEMBL8292570 0.68 SIGMAR1 (0.52) CYP1A2SIGMAR1ACHECYP2D6
SCHEMBL6436620 0.66 CYP2D6 (0.51) CYP1A2SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285572-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-10 CN disclosed
US-20250011338-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2025-01-09 US disclosed
CN-119264073-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-07 CN disclosed
US-12129263-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2024-10-29 US disclosed
CN-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed
US-20220041620-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2022-02-10 US disclosed
US-11203600-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2021-12-21 US disclosed
EP-3624797-A1 KINASE INHIBITORS AND USES THEREOF Denali Therapeutics Inc. (US) 2020-03-25 EP disclosed
US-20200087319-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2020-03-19 US disclosed
WO-2018213632-A1 KINASE INHIBITORS AND USES THEREOF DENALI THERAPEUTICS INC. (US) 2018-11-22 WO disclosed
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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 (6 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-20250011338-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 CLPP 2675/4885KCNH2 3899/4885CYP1A2 4394/4885
US-20200087319-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 CLPP 2675/4885KCNH2 3899/4885CYP1A2 4394/4885
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B CLPP 2388/4885KCNH2 1467/4885CYP1A2 156/4885
US-11203600-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 CLPP 2675/4885KCNH2 3899/4885CYP1A2 4394/4885
US-20220041620-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 CLPP 2675/4885KCNH2 3899/4885CYP1A2 4394/4885
US-12129263-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 CLPP 2675/4885KCNH2 3899/4885CYP1A2 4394/4885

“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.