SCHEMBL3936784

SCHEMBL3936784

O=C1Cc2c(cccc2-c2cc(O)cc(Nc3cccnc3)c2)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.47
PIP4K2B P78356 1/20 0.47
JAK2 O60674 3/20 0.47
KDR P35968 8/20 0.46
PLK1 P53350 5/20 0.46
ABL1 P00519 1/20 0.42
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
CYP1A2 P05177 1/20 0.39
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
GSK3B P49841 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNT2 O60583 1/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL5829804 0.79 CYP11B1 (0.55) PIP4K2APIP4K2BJAK2ABL1CYP11B1
SCHEMBL3927660 0.76 L3MBTL1 (0.39) CYP11B1CYP11B2CYP19A1KDM4ENPC1
SCHEMBL3937644 0.73 NPC1 (0.49) CYP11B2KDM4ENPC1RAB9AL3MBTL1
SCHEMBL3938396 0.72 L3MBTL1 (0.60) KDM4ENPC1RAB9AL3MBTL1MAPT
SCHEMBL3928443 0.72 L3MBTL1 (0.44) CREBBPKDM4ENPC1RAB9AL3MBTL1
SCHEMBL3929221 0.72 HPGDS (0.52) PIP4K2APIP4K2BGSK3BKDM4ENPC1
SCHEMBL3928842 0.72 METAP2 (0.46) KDRABL1BRD4KDM4ENPC1
SCHEMBL3925398 0.72 L3MBTL1 (0.44) KDRBRD4KDM4ENPC1RAB9A
SCHEMBL3933856 0.71 NPC1 (0.41) CYP1A2KDM4ENPC1RAB9AL3MBTL1
SCHEMBL3926887 0.70 NPC1 (0.49) JAK2KDRABL1CYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO claimed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US claimed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 PIP4K2A 4139/4885PIP4K2B 4263/4885JAK2 534/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 PIP4K2A 4090/4885PIP4K2B 4221/4885JAK2 511/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 PIP4K2A 4321/4885PIP4K2B 4353/4885JAK2 1387/4885

“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.