SCHEMBL16597947

SCHEMBL16597947

NC(=O)c1ccc(C2CCCCC2)nc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.70
▸ EGFR P00533 1/20 0.70
▸ TEC P42680 1/20 0.70
▸ TNK2 Q07912 5/20 0.47
▸ SCN9A Q15858 1/20 0.46
▸ CHEK2 O96017 1/20 0.43

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
SCHEMBL29738496 0.89 BTK (0.67) BTKEGFRTECTNK2SCN9A
SCHEMBL16597603 0.89 BTK (0.67) BTKEGFRTECTNK2SCN9A
SCHEMBL16597697 0.87 BTK (0.60) BTKEGFRTEC
SCHEMBL24089408 0.87 BTK (0.74) BTKEGFRTEC
SCHEMBL21883480 0.87 BTK (0.74) BTKEGFRTECTNK2
SCHEMBL16597787 0.85 BTK (0.74) BTKEGFRTEC
SCHEMBL16597583 0.84 BTK (0.62) BTKEGFRTECTNK2SCN9A
SCHEMBL16597824 0.84 BTK (0.70) BTKEGFRTEC
SCHEMBL28994528 0.83 BTK (0.72) BTKEGFRTEC
SCHEMBL30354754 0.83 BTK (0.72) BTKEGFRTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2016-08-18 — — US claimed
EP-3052476-A2 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE Beijing Synercare Pharma Tech Co., Ltd. (CN) 2016-08-10 — — EP claimed
WO-2015048662-A2 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE X-RX DISCOVERY, INC. (US) 2015-04-02 — — WO claimed

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-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE BTK, SYK, LYN BTK 1/4885EGFR 538/4885TEC 20/4885

“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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