SCHEMBL6431315

SCHEMBL6431315

COc1cccc(Oc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.80
LCK P06239 3/20 0.80
LYN P07948 1/20 0.80
NUDT14 O95848 1/20 0.68
NUDT5 Q9UKK9 1/20 0.68
EGFR P00533 9/20 0.66
SRC P12931 8/20 0.66
KDR P35968 8/20 0.66
PIK3CD O00329 8/20 0.66
PIK3CA P42336 8/20 0.66
PIK3CB P42338 8/20 0.66
PIK3CG P48736 8/20 0.66
PRKDC P78527 8/20 0.66
ABL1 P00519 7/20 0.66
HCK P08631 7/20 0.66
MTOR P42345 7/20 0.66
EPHB4 P54760 7/20 0.66
PI4KB Q9UBF8 6/20 0.66
TEK Q02763 1/20 0.64
ITK Q08881 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
SCHEMBL15613639 0.92 BTK (0.68) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613640 0.91 BTK (0.69) BTKLCKLYNNUDT14NUDT5
SCHEMBL18235471 0.90 BTK (0.65) BTKLCKLYNNUDT14NUDT5
SCHEMBL18235478 0.90 BTK (0.65) BTKLCKLYNNUDT14NUDT5
SCHEMBL6431516 0.89 BTK (1.00) BTKLCKLYNNUDT14NUDT5
SCHEMBL30586962 0.89 BTK (1.00) BTKLCKLYNNUDT14NUDT5
SCHEMBL17713980 0.88 BTK (0.98) BTKLCKLYNNUDT14NUDT5
SCHEMBL24041322 0.88 BTK (0.78) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613546 0.86 BTK (0.79) BTKLCKLYNNUDT14NUDT5
SCHEMBL6435597 0.86 BTK (0.75) 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 5 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
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.