SCHEMBL17998818

SCHEMBL17998818

Cn1cc(Br)cc(Nc2ccc(C3=CCN(C4COC4)CC3)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.42
▸ SOS1 Q07889 2/20 0.35
▸ WDR5 P61964 1/20 0.32
▸ ATR Q13535 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ EP300 Q09472 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL14914480 0.87 BTK (0.54) BTK
SCHEMBL29741962 0.87 BTK (0.54) BTK
SCHEMBL26222767 0.87 BTK (0.39) BTKSOS1ATR
SCHEMBL2587306 0.79 ACVR1 (0.38) BTKATR
SCHEMBL16795078 0.74 SLC18A3 (0.40) KDM4EALDH1A1CYP1A2CYP3A4GAA
SCHEMBL1392855 0.71 BTK (0.50) BTKATR
SCHEMBL1393637 0.69 BTK (0.49) BTK
SCHEMBL24374839 0.68 BTK (0.49) BTK
SCHEMBL1392995 0.68 BTK (0.52) BTK
SCHEMBL29925331 0.68 BTK (0.52) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 — — US disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 — — US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 — — US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 — — US 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-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK BTK 2/4885SOS1 2703/4885WDR5 1439/4885

“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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