SCHEMBL19257841

SCHEMBL19257841

N=C(c1ccc(Oc2ccccc2)cc1)c1c(N)ncnc1N[C@@H]1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.52
CHEK1 O14757 1/20 0.47
RPS6KB1 P23443 5/20 0.44
PDPK1 O15530 3/20 0.44
AURKA O14965 2/20 0.43
KCNH2 Q12809 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL18809943 1.00 BTK (0.52) BTKCHEK1RPS6KB1PDPK1AURKA
SCHEMBL23223089 0.98 BTK (0.51) BTKCHEK1RPS6KB1PDPK1AURKA
SCHEMBL23409130 0.94 BTK (0.52) BTKCHEK1RPS6KB1KCNH2EGFR
SCHEMBL22909562 0.90 BTK (0.53) BTKKCNH2
SCHEMBL19533478 0.90 BTK (0.64) BTKCHEK1RPS6KB1PDPK1AURKA
SCHEMBL25060365 0.90 BTK (0.64) BTKCHEK1RPS6KB1PDPK1AURKA
SCHEMBL19256762 0.89 CHEK1 (0.45) BTKCHEK1RPS6KB1PDPK1AURKA
SCHEMBL22737476 0.88 BTK (0.56) BTK
SCHEMBL24041268 0.88 BTK (0.58) BTKKCNH2EGFR
SCHEMBL20881645 0.85 BTK (0.50) BTKKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2882751-B1 DEUTERATED IBRUTINIB CONCERT PHARMACEUTICALS INC (US) 2018-06-27 EP disclosed
US-20180044339-A1 PROCESS FOR PREPARING IBRUTINIB LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2018-02-15 US disclosed
EP-3257855-A1 METHOD FOR PREPARING IBRUTINIB Shanghai Dude Medical Science and Technology Co., Ltd. (CN) 2017-12-20 EP disclosed
WO-2017137446-A1 PROCESS FOR THE SYNTHESIS OF STABLE AMORPHOUS IBRUTINIB AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2017-08-17 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-20180044339-A1 PROCESS FOR PREPARING IBRUTINIB BTK, SYK, ABL1 BTK 1/4885CHEK1 21/4885RPS6KB1 328/4885

“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.