Sugi Predict

Sugi Predict / Compounds / SCHEMBL4096761

SCHEMBL4096761

SCHEMBL4096761

CCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C4CC4)cc3)c2CO)cn2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ NPY2R P49146 1/20 0.35
▸ MTTP P55157 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ ITK Q08881 1/20 0.34

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
SCHEMBL4091053 0.92 BTK (0.43) BTKHDAC6CLK2HDAC1HDAC3
SCHEMBL4086250 0.89 BTK (0.42) BTKHDAC6CLK2
SCHEMBL4095544 0.84 BTK (0.42) BTKHDAC1NPY2RMTTP
SCHEMBL3865855 0.84 BTK (0.62) BTKHDAC6CLK2HDAC1HDAC3
SCHEMBL13894022 0.80 ITK (0.49) BTKHDAC1ITK
SCHEMBL4085680 0.79 BTK (0.41) BTKHDAC1
SCHEMBL3000846 0.78 BTK (0.70) BTKHDAC6
SCHEMBL13771351 0.78 BTK (0.56) BTKHDAC6HDAC1
SCHEMBL4096542 0.78 BTK (0.55) BTKHDAC6ITK
SCHEMBL4091640 0.76 BTK (0.42) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 — — WO 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 (1 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885HDAC6 1266/4885CLK2 351/4885

“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.