SCHEMBL14257551

SCHEMBL14257551

N#C/N=C(\Nc1cccc(C#N)c1)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
USP2 O75604 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
IDO1 P14902 1/20 0.46
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44
GRM4 Q14833 1/20 0.44
MCHR1 Q99705 1/20 0.42

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
SCHEMBL5005229 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHTTLMNAUSP2
SCHEMBL5005228 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHTTLMNAUSP2
SCHEMBL12793870 0.85 KMT2A (0.43) ALDH1A1MAPTHTTLMNACYP3A4
SCHEMBL2087130 0.85 KMT2A (0.43) ALDH1A1MAPTHTTLMNACYP3A4
SCHEMBL4920373 0.85 KMT2A (0.43) ALDH1A1MAPTHTTLMNACYP3A4
SCHEMBL12881080 0.85 KMT2A (0.45) ALDH1A1MAPTLMNACYP3A4CYP1A2
SCHEMBL4996687 0.85 KMT2A (0.44) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL4996691 0.85 KMT2A (0.44) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL3651030 0.84 MEN1 (0.46) ALDH1A1HTTUSP2CYP3A4CYP2C9
SCHEMBL12708335 0.84 MAPK1 (0.48) ALDH1A1MAPTHTTLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 ALDH1A1 852/4885MAPT 4184/4885HTT 3379/4885

“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.