SCHEMBL29779926

SCHEMBL29779926

[2H]C([2H])([2H])Oc1cc(-c2nn3c(c2C(N)=O)NCC[C@H]3C2CCN(C(=O)C=C)CC2)cc(OC([2H])([2H])[2H])c1C

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.89
TEC P42680 14/20 0.89
EGFR P00533 11/20 0.89
CYP3A4 P08684 1/20 0.89
CYP2C8 P10632 1/20 0.89
CYP2C9 P11712 1/20 0.89
CYP2C19 P33261 1/20 0.89
TXK P42681 1/20 0.89
BLK P51451 1/20 0.89
BMX P51813 1/20 0.89
JAK3 P52333 1/20 0.89
ERBB4 Q15303 1/20 0.89
MYO3B Q8WXR4 1/20 0.89
NLK Q9UBE8 1/20 0.89

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
SCHEMBL22026524 1.00 BTK (0.89) BTKTECEGFRCYP3A4CYP2C8
SCHEMBL29779920 1.00 BTK (0.89) BTKTECEGFRCYP3A4CYP2C8
SCHEMBL20762768 0.94 BTK (1.00) BTKTECEGFRCYP3A4CYP2C8
SCHEMBL29779922 0.94 BTK (1.00) BTKTECEGFRCYP3A4CYP2C8
SCHEMBL22026543 0.94 BTK (1.00) BTKTECEGFRCYP3A4CYP2C8
SCHEMBL22026540 0.94 BTK (1.00) BTKTECEGFRCYP3A4CYP2C8
SCHEMBL22026523 0.92 BTK (0.90) BTKTECEGFRCYP3A4CYP2C8
SCHEMBL29779919 0.92 BTK (0.90) BTKTECEGFRCYP3A4CYP2C8
SCHEMBL29779923 0.92 BTK (0.90) BTKTECEGFRCYP3A4CYP2C8
SCHEMBL20762903 0.91 BTK (0.92) BTKTECEGFRCYP3A4CYP2C8

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-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2022-09-22 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 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 (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-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN BTK 1/4885TEC 4/4885EGFR 551/4885
US-11377449-B2 BTK inhibitors with improved dual selectivity BTK, SYK, LYN BTK 1/4885TEC 4/4885EGFR 551/4885

“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.