SCHEMBL1970783

SCHEMBL1970783

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(NC[C@H]3CCN(C(=O)OC(C)(C)C)C3)nc2s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.55
IDO1 P14902 2/20 0.38
TDO2 P48775 1/20 0.38
CYP8B1 Q9UNU6 5/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
ACKR3 P25106 1/20 0.35
BCDIN3D Q7Z5W3 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD3 Q15059 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
SCHEMBL1970912 1.00 P2RY12 (0.55) P2RY12IDO1TDO2CYP8B1JAK2
SCHEMBL1970785 1.00 P2RY12 (0.55) P2RY12IDO1TDO2CYP8B1JAK2
SCHEMBL1967703 0.91 P2RY12 (0.56) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1967704 0.91 P2RY12 (0.56) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1967707 0.91 P2RY12 (0.56) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1968342 0.91 P2RY12 (0.57) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1968340 0.91 P2RY12 (0.57) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1968344 0.91 P2RY12 (0.57) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1971991 0.90 P2RY12 (0.54) P2RY12CYP8B1MEN1KMT2A
SCHEMBL1971993 0.90 P2RY12 (0.54) P2RY12CYP8B1MEN1KMT2A

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
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 P2RY12 127/4885IDO1 3499/4885TDO2 4342/4885

“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.