SCHEMBL9985266

SCHEMBL9985266

O=C(Nc1cc(-c2cc(Nc3cccnn3)c(=O)[nH]n2)ccc1F)c1cc2c(s1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.51
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 3/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
FGR P09769 1/20 0.38
SRC P12931 1/20 0.38
TEC P42680 1/20 0.38
BMX P51813 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL19971524 0.87 BTK (0.50) BTKRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9984648 0.86 BTK (0.49) BTKRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9984355 0.86 BTK (0.54) BTKRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL2494710 0.85 BTK (0.51) BTKRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9984360 0.85 BTK (0.52) BTKRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL2492538 0.84 BTK (0.51) BTKRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL2491965 0.83 BTK (0.57) BTKRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL2494292 0.82 BTK (0.52) BTKRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9985006 0.80 BTK (0.54) BTKFGRSRCTECBMX
SCHEMBL2488067 0.80 BTK (0.78) BTKFGRSRCTECBMX

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK BTK 1/4885RAB9A 3665/4885NPC1 3233/4885

“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.