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SCHEMBL4084987

SCHEMBL4084987

CNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(OCC(C)C)cc3)c2C)nn2ccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.50
▸ NR1H4 Q96RI1 1/20 0.44
▸ TP53 P04637 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ TEK Q02763 2/20 0.41
▸ SYK P43405 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BCL2 P10415 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL4095844 0.89 BTK (0.51) BTKTP53NPC1SMN1; SMN2RAB9A
SCHEMBL4086089 0.89 BTK (0.52) BTKTP53NPC1SMN1; SMN2RAB9A
SCHEMBL4090528 0.85 BTK (0.65) BTKNR1H4NPC1SMN1; SMN2RAB9A
SCHEMBL4090445 0.85 BTK (0.54) BTKTP53NPC1SMN1; SMN2RAB9A
SCHEMBL4091766 0.85 BTK (0.58) BTKSYKRAF1BRAF
SCHEMBL4081255 0.83 BTK (0.55) BTKSYKRAF1BRAF
SCHEMBL13821203 0.82 BTK (0.55) BTKSYKRAF1BRAF
SCHEMBL4095557 0.82 BTK (0.55) BTKSYKRAF1BRAF
SCHEMBL4090817 0.80 BTK (0.63) BTKNR1H4NPC1SMN1; SMN2RAB9A
SCHEMBL13771582 0.79 BTK (0.52) BTKTP53SYKMAPTPOLB

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 1/4885NR1H4 4256/4885TP53 2098/4885

“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.