SCHEMBL4682237

SCHEMBL4682237

N#C/N=C(\N)Nc1cccnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 9/20 0.46
NPC1 O15118 7/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
RECQL P46063 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4682241 1.00 MAPT (0.50) MAPTGAAKDM4ESMN1; SMN2HTT
SCHEMBL6400986 0.82 P2RX7 (0.37) MAPTGAAKDM4EPOLBCYP1A2
SCHEMBL7901900 0.82 SMN1; SMN2 (0.47) MAPTGAAKDM4ESMN1; SMN2HTT
SCHEMBL6400987 0.82 P2RX7 (0.37) MAPTGAAKDM4EPOLBCYP1A2
SCHEMBL4683978 0.78 P2RX7 (0.41) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL6406108 0.78 ATR (0.38) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6406103 0.78 ATR (0.38) MAPTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6403118 0.78 MEN1 (0.54) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL4683979 0.78 P2RX7 (0.41) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL6401562 0.78 CYP1A2 (0.47) MAPTKDM4ESMN1; SMN2HTTRAB9A

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
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 MAPT 3662/4885GAA 3749/4885KDM4E 3084/4885

“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.