SCHEMBL7976886

SCHEMBL7976886

CC(=O)c1c(C(F)(F)F)nc2ccccn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKACA P17612 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1A1 P48729 1/20 0.47

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
SCHEMBL21816379 0.86 HSD17B10 (0.49) KMT2AHSD17B10KDM4EALDH1A1DAPK3
SCHEMBL15742282 0.81 MAPK1 (0.70) KMT2AHSD17B10KDM4EALDH1A1DAPK3
SCHEMBL3755229 0.80 KMT2A (0.69) KMT2AHSD17B10KDM4EALDH1A1DAPK3
SCHEMBL10251985 0.79 ALDH1A1 (0.46) KMT2AHSD17B10KDM4EALDH1A1GAA
SCHEMBL7978701 0.79 LMNA (0.46) KMT2AHSD17B10KDM4EALDH1A1DAPK3
SCHEMBL15742694 0.79 HSD17B10 (0.44) KMT2AHSD17B10KDM4EALDH1A1DAPK3
SCHEMBL196599 0.78 KMT2A (1.00) KMT2AHSD17B10KDM4EALDH1A1GAA
SCHEMBL8315301 0.78 KMT2A (1.00) KMT2AHSD17B10KDM4EALDH1A1GAA
SCHEMBL21948593 0.77 ALDH1A1 (0.49) KMT2AALDH1A1GAALMNACYP1A2
SCHEMBL24178874 0.76 DAPK3 (0.70) KMT2AHSD17B10KDM4EALDH1A1DAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 KMT2A 216/4885HSD17B10 958/4885KDM4E 483/4885

“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.