SCHEMBL3881709

SCHEMBL3881709

COc1cccc(-c2cc(N3CCN(c4ccccn4)CC3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
CYP1A2 P05177 4/20 0.61
CYP2C9 P11712 4/20 0.61
CYP2C19 P33261 4/20 0.61
HSD17B10 Q99714 3/20 0.61
CYP3A4 P08684 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPK1 P28482 2/20 0.61
PIK3CA P42336 8/20 0.57
KDM4E B2RXH2 3/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
MTOR P42345 2/20 0.51
SMG1 Q96Q15 1/20 0.51
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
MAP3K12 Q12852 1/20 0.48

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
SCHEMBL1822821 0.91 CYP1A2 (0.72) TSHRCYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL1821190 0.85 PIK3CA (0.81) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL3878726 0.85 PIK3CA (0.60) TSHRHSD17B10MAPK1PIK3CAKDM4E
SCHEMBL3880588 0.84 PIK3CA (0.57) TSHRHSD17B10MAPK1PIK3CAKDM4E
SCHEMBL3878776 0.84 CYP1A2 (0.64) TSHRCYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL2471919 0.81 PIK3CA (0.74) TSHRCYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL3877343 0.81 PIK3CA (0.55) TSHRHSD17B10L3MBTL1MAPK1PIK3CA
SCHEMBL3881560 0.81 PIK3CA (0.55) TSHRHSD17B10L3MBTL1MAPK1PIK3CA
SCHEMBL3882230 0.80 HSD17B10 (0.57) TSHRHSD17B10L3MBTL1MAPK1PIK3CA
SCHEMBL3877825 0.80 HSD17B10 (0.57) TSHRHSD17B10L3MBTL1MAPK1PIK3CA

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 4 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 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 TSHR 74/4885CYP1A2 405/4885CYP2C9 1234/4885

“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.