SCHEMBL1965500

SCHEMBL1965500

CCc1cc2c(N3CCc4c([nH]c5ccccc45)C3)nc(N3CCNC(=O)C3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.49
GBA1 P04062 2/20 0.42
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
TMIGD3 P0DMS9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.37
PIK3CD O00329 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
SCHEMBL1966828 0.85 P2RY12 (0.53) P2RY12KDM4ERAB9ANPC1TMIGD3
SCHEMBL1966413 0.83 P2RY12 (0.49) P2RY12SMN1; SMN2
SCHEMBL12409637 0.83 GBA1 (0.45) GBA1KDM4ERAB9ANPC1POLB
SCHEMBL1969007 0.82 P2RY12 (0.46) P2RY12KDM4ERAB9ANPC1POLB
SCHEMBL1967292 0.79 P2RY12 (0.45) P2RY12KDM4ERAB9ANPC1POLB
SCHEMBL1968273 0.78 P2RY12 (0.51) P2RY12KDM4ESMN1; SMN2
SCHEMBL1968122 0.78 P2RY12 (0.46) P2RY12KDM4ERAB9ATMIGD3SMN1; SMN2
SCHEMBL1969825 0.77 P2RY12 (0.46) P2RY12KDM4ERAB9ANPC1POLB
SCHEMBL1967298 0.77 P2RY12 (0.57) P2RY12SMN1; SMN2
SCHEMBL1968516 0.77 P2RY12 (0.44) P2RY12KDM4ERAB9ATMIGD3SMN1; SMN2

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 127/4885GBA1 2782/4885KDM4E 3758/4885

“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.