SCHEMBL4084871

SCHEMBL4084871

CCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2C)nn2ccnc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.51
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 1/20 0.38
SYK P43405 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNK3 O14649 1/20 0.37
NAMPT P43490 1/20 0.36
TP53 P04637 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL4090445 0.91 BTK (0.54) BTKLMNAMAPTNPC1ALDH1A1
SCHEMBL13771582 0.90 BTK (0.52) BTKLMNAMAPTALDH1A1MAPK1
SCHEMBL4091738 0.90 BTK (0.48) BTKLMNAMAPTNPC1ALDH1A1
SCHEMBL13771589 0.89 BTK (0.51) BTKLMNAMAPTALDH1A1MAPK1
SCHEMBL2932606 0.89 BTK (0.63) BTKLMNANPC1MAPK1RAB9A
SCHEMBL4080069 0.88 BTK (0.56) BTKSYKRAF1BRAF
SCHEMBL4090046 0.87 BTK (0.53) BTKSYKRAF1BRAF
SCHEMBL4086761 0.85 BTK (0.54) BTKSYKRAF1BRAF
SCHEMBL4090127 0.85 BTK (0.54) BTKSYKRAF1BRAF
SCHEMBL4096542 0.83 BTK (0.55) BTKLMNAMAPTNPC1ALDH1A1

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 1/4885LMNA 4025/4885MAPT 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.