Sugi Predict

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SCHEMBL4095844

SCHEMBL4095844

CCCOc1ccc(C(=O)Nc2cccc(-c3cc(NC(=O)NC)c4nccn4n3)c2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.51
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 4/20 0.45
▸ CHRNB2 P17787 4/20 0.43
▸ CHRNA4 P43681 4/20 0.43
▸ CHRNB4 P30926 3/20 0.43
▸ CHRNA3 P32297 3/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PLK1 P53350 2/20 0.42
▸ SYK P43405 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.40

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
SCHEMBL4086089 0.90 BTK (0.52) BTKTP53MAPTSMN1; SMN2SYK
SCHEMBL4084987 0.89 BTK (0.50) BTKTP53MAPTSMN1; SMN2SYK
SCHEMBL4090528 0.86 BTK (0.65) BTKSMN1; SMN2SYKNPC1RAB9A
SCHEMBL4090445 0.85 BTK (0.54) BTKTP53MAPTSMN1; SMN2SYK
SCHEMBL4091766 0.85 BTK (0.58) BTKSYK
SCHEMBL4081255 0.84 BTK (0.55) BTKSYK
SCHEMBL4095557 0.83 BTK (0.55) BTKSYK
SCHEMBL13821203 0.83 BTK (0.55) BTKSYK
SCHEMBL13771582 0.81 BTK (0.52) BTKTP53MAPTSYKPOLB
SCHEMBL13771589 0.81 BTK (0.51) BTKTP53MAPTSYKPOLB

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 1/4885TP53 2098/4885MAPT 4151/4885

“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.