SCHEMBL3887124

SCHEMBL3887124

Cc1ccc(C)c(-c2nc(N3CCOCC3)nc(N3CCN(c4ccccn4)CC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
PIK3CA P42336 4/20 0.49
MTOR P42345 4/20 0.49
PIK3R1 P27986 3/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AR P10275 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ATR Q13535 1/20 0.44
ATRIP Q8WXE1 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
SCHEMBL3878768 0.89 HPGD (0.47) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3878071 0.89 LRRK2 (0.51) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3884243 0.89 PIK3CA (0.54) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3878604 0.89 ALDH1A1 (0.52) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3877480 0.85 PIK3CA (0.51) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3879980 0.85 CNR2 (0.51) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3888339 0.83 ACHE (0.56) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3879447 0.83 HSD17B10 (0.54) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL3884202 0.83 PIK3CA (0.50) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL1123454 0.79 HPGD (0.60) HPGDKDM4EALDH1A1HSD17B10LMNA

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 HPGD 952/4885KDM4E 3890/4885ALDH1A1 920/4885

“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.