SCHEMBL20132695

SCHEMBL20132695

Cc1cc2cc(-c3cc(C(C)C)ccn3)cnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
MAP4K1 Q92918 1/20 0.40
PIK3CG P48736 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
PIM1 P11309 1/20 0.36
ULK1 O75385 1/20 0.35
DYRK1A Q13627 2/20 0.35
JAK2 O60674 3/20 0.34
KDR P35968 2/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
FLT1 P17948 1/20 0.34

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
SCHEMBL15344950 0.83 BRD4 (0.49) BRD4MAP4K1PIK3CGPIM1ULK1
SCHEMBL15341880 0.76 BRD4 (0.45) BRD4MAP4K1PIK3CGHDAC6DYRK1A
SCHEMBL20132603 0.75 MET (0.44) PIM1CDK9BTK
SCHEMBL15341748 0.72 PIM1 (0.36) PIM1JAK2TGFBR1
SCHEMBL10199533 0.71 MAPK8 (0.36) PIM1DYRK1AJAK2KDRAURKA
SCHEMBL15340892 0.70 PIM1 (0.39) PIM1JAK2FLT1TGFBR1SYK
SCHEMBL15750961 0.70 PIK3CG (0.57) BRD4MAP4K1PIK3CGPIM1KDR
SCHEMBL11399098 0.70 CCR1 (0.48) PIM1DYRK1AJAK2KDRAURKA
SCHEMBL23252956 0.70 CCR1 (0.42) HDAC6PIM1TGFBR1KDM4E
SCHEMBL15340899 0.69 TRPA1 (0.52) PIM1DYRK1AJAK2KDRDAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1928/4885MAP4K1 3435/4885PIK3CG 958/4885

“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.