SCHEMBL1970003

SCHEMBL1970003

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(NCc3ccccc3)nc2s1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.64
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 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
SCHEMBL1970796 0.89 P2RY12 (0.65) P2RY12MEN1KMT2AALDH1A1HTT
SCHEMBL1970983 0.88 P2RY12 (0.68) P2RY12MEN1KMT2A
SCHEMBL12409765 0.88 P2RY12 (0.68) P2RY12MEN1KMT2ADPP4
SCHEMBL1966730 0.86 P2RY12 (0.55) P2RY12MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1967296 0.86 P2RY12 (0.59) P2RY12MEN1KMT2APARP1PARP2
SCHEMBL1970227 0.86 P2RY12 (0.68) P2RY12MEN1KMT2A
SCHEMBL1969029 0.85 P2RY12 (0.65) P2RY12MEN1KMT2AALDH1A1
SCHEMBL13459920 0.85 P2RY12 (0.63) P2RY12MEN1KMT2ADPP4
SCHEMBL1967368 0.85 P2RY12 (0.67) P2RY12MEN1KMT2A
SCHEMBL1971316 0.85 P2RY12 (0.63) P2RY12MEN1KMT2ADPP4

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 127/4885MEN1 849/4885KMT2A 4236/4885

“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.