SCHEMBL6430319

SCHEMBL6430319

CC(=O)OCCNCCC(=O)N1CCC(n2nc(-c3ccc(NC(=O)Nc4cccc(C)c4)c(F)c3)c3c(N)ncnc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 10/20 0.49
▸ SRC P12931 6/20 0.49
▸ KDR P35968 4/20 0.49
▸ TEK Q02763 3/20 0.49
▸ KIT P10721 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ IKBKE Q14164 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ EGFR P00533 3/20 0.45
▸ LIMK1 P53667 1/20 0.43
▸ LIMK2 P53671 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ ITK Q08881 2/20 0.43
▸ BTK Q06187 1/20 0.42
▸ FYN P06241 1/20 0.42

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
SCHEMBL7004695 0.93 LCK (0.50) LCKSRCKDRTEKKIT
Acetic Acid SCHEMBL6430313 0.92 LCK (0.50) LCKSRCKDRTEKKIT
SCHEMBL6431538 0.87 LCK (0.53) LCKSRCKDRTEKKIT
SCHEMBL6430834 0.87 LCK (0.53) LCKSRCKDRTEKKIT
SCHEMBL7702573 0.86 LCK (0.52) LCKSRCKDRTEKKIT
Acetic Acid SCHEMBL6434178 0.86 LCK (0.50) LCKSRCKDRTEKKIT
SCHEMBL6431567 0.86 LCK (0.57) LCKSRCKDRTEKKIT
SCHEMBL7702572 0.84 LCK (0.52) LCKSRCKDRTEKKIT
SCHEMBL5802530 0.84 LCK (0.54) LCKSRCKDRTEKKIT
SCHEMBL6433914 0.83 LCK (0.49) LCKSRCKDRTEKKIT

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 LCK 1/4885SRC 46/4885KDR 3981/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LCK 1011/4885SRC 1834/4885KDR 1166/4885

“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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