SCHEMBL3879522

SCHEMBL3879522

c1ccc(N2CCN(c3nc(-c4cccc5ccccc45)nc(N4CCOCC4)n3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
NPC1 O15118 1/20 0.49
HK1 P19367 1/20 0.49
RAB9A P51151 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
KDM4E B2RXH2 5/20 0.49
PIK3CA P42336 5/20 0.48
MTOR P42345 3/20 0.48
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.46
METAP1 P53582 1/20 0.46
PIK3R1 P27986 2/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
ACHE P22303 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44

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
SCHEMBL3877480 0.86 PIK3CA (0.51) HSD17B10ALDH1A1HPGDNPC1HK1
SCHEMBL3878314 0.85 PRKDC (0.53) HSD17B10ALDH1A1HPGDNPC1HK1
SCHEMBL3878604 0.84 ALDH1A1 (0.52) HSD17B10ALDH1A1HPGDNPC1HK1
SCHEMBL3876033 0.84 HPGD (0.50) HSD17B10ALDH1A1HPGDNPC1HK1
SCHEMBL3879980 0.84 CNR2 (0.51) HSD17B10ALDH1A1HPGDKDM4EPIK3CA
SCHEMBL3880853 0.81 ALDH1A1 (0.50) HSD17B10ALDH1A1HPGDNPC1HK1
SCHEMBL13761287 0.81 HTT (0.61) HSD17B10ALDH1A1HPGDNPC1HK1
SCHEMBL3884243 0.80 PIK3CA (0.54) HSD17B10ALDH1A1HPGDKDM4EPIK3CA
SCHEMBL1124002 0.79 HPGD (0.60) HSD17B10ALDH1A1HPGDNPC1HK1
SCHEMBL1123454 0.79 HPGD (0.60) HSD17B10ALDH1A1HPGDNPC1HK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US claimed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG HSD17B10 3040/4885ALDH1A1 920/4885HPGD 952/4885

“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.