SCHEMBL22720779

SCHEMBL22720779

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(C2CCC3(CC2)OCCO3)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.70
▸ LCK P06239 6/20 0.70
▸ SRC P12931 2/20 0.70
▸ KDR P35968 1/20 0.70
▸ TEK Q02763 1/20 0.70
▸ NUDT14 O95848 1/20 0.69
▸ NUDT5 Q9UKK9 1/20 0.69
▸ LYN P07948 2/20 0.68
▸ EGFR P00533 6/20 0.61
▸ ITK Q08881 4/20 0.57
▸ ABL1 P00519 1/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ FYN P06241 1/20 0.55
▸ YES1 P07947 1/20 0.55
▸ HCK P08631 1/20 0.55
▸ FGR P09769 1/20 0.55
▸ FER P16591 1/20 0.55
▸ CSK P41240 1/20 0.55
▸ TEC P42680 1/20 0.55
▸ BLK P51451 1/20 0.55

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
SCHEMBL29439195 1.00 BTK (0.70) BTKLCKSRCKDRTEK
SCHEMBL5805229 0.95 BTK (0.75) BTKLCKSRCKDRTEK
SCHEMBL22737944 0.90 BTK (0.66) BTKLCKSRCKDRTEK
SCHEMBL22720761 0.90 BTK (0.66) BTKLCKSRCKDRTEK
SCHEMBL29439248 0.90 BTK (0.66) BTKLCKSRCKDRTEK
SCHEMBL22737541 0.86 BTK (0.70) BTKLCKSRCKDRTEK
SCHEMBL5823929 0.86 BTK (0.61) BTKLCKSRCKDRTEK
SCHEMBL5804616 0.86 BTK (0.93) BTKLCKSRCKDRTEK
Hydrochloric Acid SCHEMBL22720961 0.86 BTK (0.69) BTKLCKSRCKDRTEK
SCHEMBL6431135 0.86 BTK (0.78) BTKLCKSRCKDRTEK

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-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
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 5/4885SRC 218/4885

“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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