SCHEMBL29874886

SCHEMBL29874886

CN1CCC(c2ccc(-c3cc(F)c4c(=O)[nH]ccc4c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 3/20 0.52
▸ PARP1 P09874 4/20 0.50
▸ TNKS O95271 3/20 0.50
▸ TNKS2 Q9H2K2 3/20 0.50
▸ BRD9 Q9H8M2 1/20 0.46
▸ JAK2 O60674 1/20 0.40
▸ P2RY14 Q15391 1/20 0.40
▸ TAF1 P21675 1/20 0.39
▸ SYK P43405 4/20 0.37
▸ EGFR P00533 1/20 0.37
▸ QDPR P09417 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ IL2 P60568 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36

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
SCHEMBL29874888 0.81 BRD9 (0.52) ZAP70PARP1TNKSTNKS2BRD9
SCHEMBL1725900 0.75 BTK (0.39) ZAP70JAK2ROCK2
SCHEMBL1046772 0.73 ZAP70 (0.77) ZAP70PARP1TNKSTNKS2SYK
SCHEMBL25775893 0.72 TNKS (0.47) PARP1TNKSTNKS2BRD9P2RY14
SCHEMBL1048139 0.70 ZAP70 (0.78) ZAP70MAP4K1
SCHEMBL1046685 0.70 ZAP70 (0.78) ZAP70MAP4K1
SCHEMBL1048102 0.70 ZAP70 (0.65) ZAP70EGFRMAP4K1
SCHEMBL1048446 0.69 ZAP70 (0.77) ZAP70MAP4K1
SCHEMBL1043307 0.69 ZAP70 (1.00) ZAP70MAP4K1
SCHEMBL1049435 0.69 ZAP70 (0.63) ZAP70EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20220411404-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 ZAP70 474/4885PARP1 3221/4885TNKS 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.

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