SCHEMBL22737543

SCHEMBL22737543

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C2CCC3(CC2)CN(C2CNC2)C3)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.66
▸ LCK P06239 2/20 0.66
▸ LYN P07948 1/20 0.66
▸ SRC P12931 1/20 0.66
▸ KDR P35968 1/20 0.66
▸ TEK Q02763 1/20 0.66
▸ NUDT14 O95848 1/20 0.65
▸ NUDT5 Q9UKK9 1/20 0.65
▸ EGFR P00533 1/20 0.58

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
Hydrochloric Acid SCHEMBL29439225 0.99 BTK (0.65) BTKLCKLYNSRCKDR
Hydrochloric Acid SCHEMBL22720867 0.99 BTK (0.65) BTKLCKLYNSRCKDR
SCHEMBL24196516 0.96 BTK (0.72) BTKLCKLYNSRCKDR
SCHEMBL30415848 0.96 BTK (0.72) BTKLCKLYNSRCKDR
SCHEMBL22737721 0.94 BTK (0.66) BTKLCKLYNSRCKDR
Hydrochloric Acid SCHEMBL29439310 0.93 BTK (0.65) BTKLCKLYNSRCKDR
SCHEMBL22720762 0.93 BTK (0.75) BTKLCKLYNSRCKDR
SCHEMBL29439227 0.92 BTK (0.76) BTKLCKLYNSRCKDR
SCHEMBL22720683 0.92 BTK (0.76) BTKLCKLYNSRCKDR
SCHEMBL24697815 0.90 BTK (0.68) BTKLCKLYNSRCKDR

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-11542266-B1 Substituted piperidines as BTK inhibitors HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-01-03 — — US disclosed
WO-2020239103-A1 BTK INHIBITOR RING DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2020-12-03 — — WO 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-11542266-B1 Substituted piperidines as BTK inhibitors BTK, BLK, SYK BTK 1/4885LCK 5/4885LYN 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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