Sugi Predict

Sugi Predict / Compounds / SCHEMBL1679620

SCHEMBL1679620

SCHEMBL1679620

C=CC(=O)Nc1ccc2ncn(-c3cncc(N4CCCCC4)n3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.66
▸ JAK3 P52333 8/20 0.66
▸ SRC P12931 2/20 0.66
▸ JAK2 O60674 1/20 0.66
▸ STK16 O75716 1/20 0.66
▸ FYN P06241 1/20 0.66
▸ FLT1 P17948 1/20 0.66
▸ KDR P35968 1/20 0.66
▸ EGFR P00533 5/20 0.42
▸ BLK P51451 3/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ ITK Q08881 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MAP3K14 Q99558 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53BP1 Q12888 1/20 0.38

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
SCHEMBL1678594 0.99 JAK3 (0.67) BTKJAK3SRCJAK2STK16
SCHEMBL1679508 0.90 JAK3 (0.67) BTKJAK3SRCJAK2STK16
SCHEMBL1678894 0.90 JAK3 (0.64) BTKJAK3SRCJAK2STK16
SCHEMBL1678919 0.84 BTK (0.71) BTKJAK3SRCJAK2STK16
SCHEMBL1679413 0.82 JAK3 (0.80) BTKJAK3SRCJAK2STK16
SCHEMBL1679267 0.82 JAK3 (0.76) BTKJAK3SRCJAK2STK16
SCHEMBL1679647 0.82 JAK3 (0.76) BTKJAK3SRCJAK2STK16
SCHEMBL1678926 0.82 JAK3 (0.68) BTKJAK3SRCJAK2STK16
SCHEMBL12735952 0.81 BTK (0.67) BTKJAK3SRCJAK2STK16
SCHEMBL1678840 0.81 JAK3 (0.70) BTKJAK3SRCJAK2STK16

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 — — US disclosed
US-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 — — US disclosed
US-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 — — US disclosed
EP-1704145-B1 SELECTIVE KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2012-06-13 — — EP disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 — — US disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 — — US disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 — — US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 — — US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 — — US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 — — 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-20110082142-A1 SELECTIVE KINASE INHIBITORS LCK, CHUK, CSK BTK 7/4885JAK3 47/4885SRC 39/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK BTK 7/4885JAK3 47/4885SRC 39/4885

“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.