SCHEMBL1968416

SCHEMBL1968416

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C(=O)OCC)CC3)nc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.64
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.38
CYP8B1 Q9UNU6 2/20 0.37
ATM Q13315 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL1970448 0.92 P2RY12 (0.62) P2RY12MEN1KMT2AMAPTALDH1A1
SCHEMBL1968547 0.91 P2RY12 (0.64) P2RY12MEN1KMT2ACYP8B1NOTUM
SCHEMBL12490336 0.91 P2RY12 (0.61) P2RY12MEN1KMT2AMAPTALDH1A1
SCHEMBL1971209 0.91 P2RY12 (0.64) P2RY12MEN1KMT2ACYP8B1NOTUM
SCHEMBL1969407 0.91 P2RY12 (0.66) P2RY12MEN1KMT2AALDH1A1KDM4E
SCHEMBL1967374 0.90 P2RY12 (0.63) P2RY12MEN1KMT2ANOTUM
SCHEMBL1971155 0.89 P2RY12 (0.62) P2RY12MEN1KMT2A
SCHEMBL1974132 0.88 P2RY12 (0.73) P2RY12MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL12491713 0.88 P2RY12 (0.70) P2RY12MEN1KMT2AALDH1A1HPGD
SCHEMBL1969002 0.87 P2RY12 (0.69) P2RY12MEN1KMT2AALDH1A1CYP1A2

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.