SCHEMBL1967019

SCHEMBL1967019

FC(F)(F)c1nc(-c2ccccc2)nc2c1CCNC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.51
HTR2A P28223 6/20 0.51
HTR2B P41595 6/20 0.51
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRCP P42785 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR1B P28222 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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 SCHEMBL1262177 0.99 HTR2C (0.50) HTR2CHTR2AHTR2BATMTDP1
SCHEMBL3388287 0.88 HTR2C (0.53) HTR2CHTR2AHTR2B
SCHEMBL3419388 0.88 PSD (0.42) HTR2CHTR2AHTR2BCYP3A4CYP1A2
Hydrochloric Acid SCHEMBL1261370 0.86 PSD (0.41) HTR2CHTR2AHTR2BCYP3A4CYP1A2
SCHEMBL4391037 0.86 HTR2C (0.41) HTR2CHTR2AHTR2BMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL1262699 0.86 HTR2A (0.52) HTR2CHTR2AHTR2B
SCHEMBL3392016 0.86 HTR2C (0.44) HTR2CHTR2AHTR2BSMN1; SMN2
SCHEMBL3394336 0.86 USP1 (0.43) HTR2CHTR2AHTR2BCYP3A4MAPT
Hydrochloric Acid SCHEMBL1262796 0.85 USP1 (0.42) HTR2CHTR2AHTR2BCYP3A4MAPT
Hydrochloric Acid SCHEMBL1260880 0.85 HTR2C (0.43) HTR2CHTR2AHTR2BMAPTSMN1; 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 HTR2C 3065/4885HTR2A 3057/4885HTR2B 1986/4885

“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.