SCHEMBL6434459

SCHEMBL6434459

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C[C@H](O)CO)C1

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
NUDT14 O95848 1/20 0.61
NUDT5 Q9UKK9 1/20 0.61
SRC P12931 1/20 0.58
KDR P35968 1/20 0.58
TEK Q02763 1/20 0.58
EGFR P00533 1/20 0.57

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
SCHEMBL6431810 1.00 BTK (0.66) BTKLCKLYNNUDT14NUDT5
SCHEMBL5803152 0.87 BTK (0.70) BTKLCKLYNNUDT14NUDT5
SCHEMBL12712629 0.85 BTK (0.62) BTKLCKLYNNUDT14NUDT5
2-Bromoethanol SCHEMBL6433498 0.84 BTK (0.66) BTKLCKLYNNUDT14NUDT5
SCHEMBL6433908 0.83 BTK (0.64) BTKLCKLYNNUDT14NUDT5
SCHEMBL6433503 0.83 BTK (0.61) BTKLCKLYNNUDT14NUDT5
SCHEMBL24196789 0.82 BTK (0.81) BTKLCKLYNNUDT14NUDT5
SCHEMBL27604370 0.82 BTK (0.69) BTKLCKLYNNUDT14NUDT5
SCHEMBL6430574 0.81 BTK (0.66) BTKLCKLYNNUDT14NUDT5
SCHEMBL25068919 0.81 BTK (0.73) BTKLCKLYNNUDT14NUDT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN BTK 42/4885LCK 1/4885LYN 72/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885LCK 1011/4885LYN 1034/4885

“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.