SCHEMBL4091778

SCHEMBL4091778

CCOc1ccc(C(=O)Nc2cccc(-c3cc(NC(=O)NC)c4nccn4c3)c2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.51
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 3/20 0.42
PKM P14618 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
RPS6KA2 Q15349 1/20 0.41

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
SCHEMBL4090496 0.91 BTK (0.52) BTKKMT2AMAPTALDH1A1TSHR
SCHEMBL4091659 0.89 BTK (0.51) BTKPOLBMAPTALDH1A1HPGD
SCHEMBL13821341 0.89 BTK (0.54) BTKMAPTTP53HDAC6
SCHEMBL13771354 0.89 BTK (0.54) BTKMAPTTP53HDAC6
SCHEMBL4091723 0.88 BTK (0.52) BTKMAPTRAB9ANPC1HDAC6
SCHEMBL2999693 0.87 BTK (0.65) BTKKMT2AMAPK1RAB9ANPC1
SCHEMBL4081148 0.87 BTK (0.55) BTKMAPTTP53HDAC6
SCHEMBL4080570 0.86 BTK (0.52) BTKHDAC6
SCHEMBL4095817 0.86 BTK (0.58) BTKHDAC6
SCHEMBL4087271 0.83 BTK (0.55) BTKHDAC6

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 7 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

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 1/4885KMT2A 1922/4885POLB 1495/4885

“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.