SCHEMBL1968920

SCHEMBL1968920

FC(F)(F)c1nc(-c2ccoc2)nc2c1CCNC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
HTR2C P28335 4/20 0.34
HTR2A P28223 3/20 0.34
HTR2B P41595 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
CYP2D6 P10635 2/20 0.34
NPBWR1 P48145 1/20 0.32
MTOR P42345 1/20 0.32
MEN1 O00255 3/20 0.30
USP2 O75604 3/20 0.30
KMT2A Q03164 3/20 0.30
HSD17B10 Q99714 3/20 0.30
ALOX15 P16050 2/20 0.30
TP53 P04637 1/20 0.30
PIK3CA P42336 1/20 0.30

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
Hydrochloric Acid SCHEMBL1262797 0.99 CYP1A2 (0.35) CYP1A2CYP3A4LMNAMAPTTRPV1
SCHEMBL1967019 0.82 HTR2C (0.51) CYP1A2CYP3A4LMNAMAPTHTR2C
SCHEMBL3388287 0.81 HTR2C (0.53) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL1262177 0.81 HTR2C (0.50) CYP1A2CYP3A4LMNAMAPTHTR2C
SCHEMBL3419388 0.81 PSD (0.42) CYP1A2CYP3A4TRPV1HTR2CHTR2A
Hydrochloric Acid SCHEMBL1262699 0.80 HTR2A (0.52) HTR2CHTR2AHTR2B
SCHEMBL4391037 0.80 HTR2C (0.41) LMNAMAPTHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL1261370 0.80 PSD (0.41) CYP1A2CYP3A4TRPV1HTR2CHTR2A
SCHEMBL8254179 0.78 DPP4 (0.39) LMNAMAPTTRPV1HTR2CHTR2A
SCHEMBL3390238 0.78 PDCD1 (0.38) TRPV1HTR2CHTR2AHTR2BADORA3

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 CYP1A2 269/4885CYP3A4 139/4885LMNA 3709/4885

“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.