SCHEMBL19009090

SCHEMBL19009090

Cc1ccc(C(N)=O)c2[nH]cc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.43
▸ PDPK1 O15530 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ MAP3K5 Q99683 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL16382698 0.86 BTK (0.50) BTKPDPK1JAK2MAP3K5SIRT3
SCHEMBL16382703 0.83 BTK (0.45) BTKPDPK1JAK2MAP3K5
SCHEMBL9936768 0.77 BTK (0.42) BTKPDPK1MAP3K5ALDH1A1ATM
SCHEMBL16382684 0.77 ALDH1A1 (0.40) BTKALDH1A1ATM
SCHEMBL17699610 0.75 BTK (0.50) BTKPDPK1JAK2MAP3K5SIRT3
SCHEMBL7609237 0.72 NR4A2 (0.36) BTKJAK2
SCHEMBL28337895 0.69 BTK (0.53) BTK
SCHEMBL16382696 0.69 BTK (0.55) BTKPDPK1
SCHEMBL27614341 0.69 POLB (0.48) BTKJAK2SIRT3TDP1BRD4
Hydrochloric Acid SCHEMBL27784477 0.67 POLB (0.46) BTKJAK2SIRT3TDP1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 — — 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-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 BTK 1/4885PDPK1 601/4885JAK2 7/4885

“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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