Sugi Predict

Sugi Predict / Compounds / SCHEMBL4091592

SCHEMBL4091592

SCHEMBL4091592

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(NC(=O)NCCCn2ccnc2)c2nccn2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NAMPT P43490 4/20 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
SCHEMBL4080285 0.87 BTK (0.61) BTK
SCHEMBL4085005 0.87 BTK (0.61) BTK
SCHEMBL4081322 0.87 BTK (0.59) BTKSMN1; SMN2KDM4EKMT2AMAPK1
SCHEMBL4081138 0.87 BTK (0.58) BTK
SCHEMBL4092048 0.86 BTK (0.58) BTKSMN1; SMN2MAPK1LMNAMAPT
SCHEMBL3000846 0.86 BTK (0.70) BTK
SCHEMBL4086254 0.84 BTK (0.55) BTKSMN1; SMN2MAPK1LMNAMAPT
SCHEMBL2999693 0.83 BTK (0.65) BTKSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL2989793 0.81 BTK (0.67) BTKSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL4080456 0.81 BTK (0.65) 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 1/4885L3MBTL1 3419/4885CYP1A2 2721/4885

“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.