SCHEMBL25257916

SCHEMBL25257916

Clc1cc(Br)c2c(c1)CNCC2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.50
ASIC3 Q9UHC3 2/20 0.46
HTR2C P28335 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CD44 P16070 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
SCHEMBL25259397 0.85 PNMT (0.53) PNMTASIC3HTR2CHTR2AHTR2B
SCHEMBL30068989 0.82 PNMT (0.37) PNMTASIC3HTR2CHTR2AHTR2B
SCHEMBL25259990 0.82 PNMT (0.37) PNMTASIC3HTR2CHTR2AHTR2B
SCHEMBL3880722 0.81 PNMT (0.55) PNMTASIC3HTR2CHTR2AHTR2B
SCHEMBL29787094 0.81 PNMT (0.55) PNMTASIC3HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL4789650 0.79 PNMT (0.53) PNMTASIC3HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL29787087 0.79 PNMT (0.53) PNMTASIC3HTR2CHTR2AHTR2B
SCHEMBL27183518 0.79 PNMT (0.47) PNMTASIC3HTR2CHTR2AHTR2B
SCHEMBL29782809 0.78 PNMT (0.46) PNMTASIC3HTR2CHTR2AHTR2B
SCHEMBL17699714 0.78 PNMT (0.46) PNMTASIC3HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 US disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed
CN-113166139-A Pyrrolo [2,3-b ] pyridines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-07-23 CN 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 (1 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-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN PNMT 4428/4885ASIC3 3608/4885HTR2C 3333/4885

“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.