SCHEMBL29874888

SCHEMBL29874888

CN1CCC(c2ccc(-c3ccc4c(=O)[nH]ccc4c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.52
▸ ZAP70 P43403 1/20 0.48
▸ TNKS O95271 3/20 0.48
▸ PARP1 P09874 3/20 0.48
▸ TNKS2 Q9H2K2 3/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ P2RY14 Q15391 1/20 0.47
▸ PRKACA P17612 5/20 0.47
▸ PRKACG P22612 4/20 0.47
▸ PRKACB P22694 4/20 0.47
▸ TAF1 P21675 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ EGFR P00533 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ PRKG1 Q13976 1/20 0.41
▸ PKN1 Q16512 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ AAK1 Q2M2I8 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
SCHEMBL29874886 0.81 ZAP70 (0.52) BRD9ZAP70TNKSPARP1TNKS2
SCHEMBL29440634 0.77 IP6K1 (0.60) BRD9TNKSPARP1TNKS2EGFR
SCHEMBL15586753 0.76 ROCK1 (0.51) PARP1ROCK2PRKACAPRKACGPRKACB
Hydrochloric Acid SCHEMBL31529629 0.76 IP6K1 (0.58) BRD9TNKSPARP1TNKS2EGFR
SCHEMBL4005932 0.73 ROCK1 (0.70) ZAP70PARP1ROCK2PRKACAPRKCD
SCHEMBL4006198 0.72 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL25290996 0.72 GRM5 (0.59) PARP1TNKS2ROCK2PRKACAPRKACG
SCHEMBL17755606 0.72 BRD9 (0.69) BRD9ZAP70TNKSPARP1TNKS2
SCHEMBL20443487 0.70 HTR3A (0.50) TNKSPARP1TNKS2ROCK2EGFR
SCHEMBL6226394 0.70 CHEK1 (0.50) PARP1ROCK2PRKACAPRKACGPRKACB

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-20250340535-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-11-06 — — US disclosed
US-20250340534-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-11-06 — — US disclosed
US-12391671-B2 Allosteric EGFR inhibitors and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-08-19 — — US disclosed
CN-120004861-A Allosteric EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所股份有限公司 2025-05-16 — — CN 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
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

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-20250340535-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 BRD9 2311/4885ZAP70 474/4885TNKS 1022/4885
US-12391671-B2 Allosteric EGFR inhibitors and methods of use thereof EGFR, ERBB2, ERBB3 BRD9 2311/4885ZAP70 474/4885TNKS 1022/4885
US-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 BRD9 2311/4885ZAP70 474/4885TNKS 1022/4885
US-20250340534-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 BRD9 2311/4885ZAP70 474/4885TNKS 1022/4885

“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.

Send feedback