SCHEMBL17897342

SCHEMBL17897342

CN1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.54
LPL P06858 7/20 0.49
LIPG Q9Y5X9 7/20 0.49

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
SCHEMBL18620920 0.85 QDPR (0.47) QDPRLPLLIPG
SCHEMBL27160076 0.82 LPL (0.45) QDPRLPLLIPG
SCHEMBL4154520 0.81 QDPR (0.40) QDPR
SCHEMBL24802975 0.80 SLC6A4 (0.41) QDPRLPLLIPG
SCHEMBL22807059 0.80 QDPR (0.48) QDPR
SCHEMBL18372246 0.80 LIPG (0.43) QDPRLPLLIPG
SCHEMBL28513402 0.79 HTR6 (0.38) QDPR
SCHEMBL16795094 0.79 LPL (0.42) LPLLIPG
SCHEMBL31223021 0.79 QDPR (0.44) QDPR
SCHEMBL28905293 0.79 SLC6A4 (0.42) QDPR

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-20240408169-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-12-12 US disclosed
US-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
EP-4058015-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-09-21 EP disclosed
CN-115066240-A Allosteric EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所股份有限公司 2022-09-16 CN disclosed
WO-2021096948-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-20 WO disclosed
WO-2016107541-A1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 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 (2 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-20240408169-A1 CYCLIN INHIBITORS CCNI, CDK2, CDK1 QDPR 4364/4885LPL 4016/4885LIPG 3830/4885
US-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 QDPR 3222/4885LPL 2919/4885LIPG 545/4885

“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.