SCHEMBL6434916

SCHEMBL6434916

CC(C)N1CCC(N2CCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.76
▸ LCK P06239 5/20 0.76
▸ SRC P12931 2/20 0.76
▸ KDR P35968 2/20 0.76
▸ TEK Q02763 2/20 0.76
▸ NUDT14 O95848 1/20 0.75
▸ NUDT5 Q9UKK9 1/20 0.75
▸ LYN P07948 1/20 0.71
▸ EGFR P00533 4/20 0.64
▸ HCK P08631 1/20 0.62
▸ ITK Q08881 2/20 0.60
▸ ERBB2 P04626 1/20 0.59
▸ IGF1R P08069 1/20 0.59
▸ ERBB3 P21860 1/20 0.59
▸ ERBB4 Q15303 1/20 0.59

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
SCHEMBL24827785 0.96 BTK (0.80) BTKLCKSRCKDRTEK
SCHEMBL25069063 0.91 BTK (0.75) BTKLCKSRCKDRTEK
SCHEMBL5804616 0.90 BTK (0.93) BTKLCKSRCKDRTEK
SCHEMBL16939112 0.89 BTK (0.79) BTKLCKSRCKDRTEK
SCHEMBL25951857 0.89 BTK (0.68) BTKLCKSRCKDRTEK
SCHEMBL24197056 0.89 BTK (0.68) BTKLCKSRCKDRTEK
SCHEMBL24197168 0.88 BTK (0.67) BTKLCKSRCKDRTEK
SCHEMBL23847560 0.88 BTK (0.60) BTKLCKSRCKDRTEK
SCHEMBL29439184 0.88 BTK (0.76) BTKLCKSRCKDRTEK
SCHEMBL22720857 0.87 BTK (0.75) 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 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 1/4885SRC 46/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885LCK 1011/4885SRC 1834/4885

“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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