SCHEMBL3528541

SCHEMBL3528541

O=c1[nH]nc2c(NCCNc3nc4ccccc4s3)nc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK8 P45983 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHEK1 O14757 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
ROCK1 Q13464 1/20 0.37
ADORA1 P30542 1/20 0.37
NPY1R P25929 1/20 0.37
GLS O94925 1/20 0.37
DHODH Q02127 1/20 0.37
ADORA2A P29274 1/20 0.36
QPCT Q16769 1/20 0.36

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
SCHEMBL3523483 0.81 NPC1 (0.41) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5355187 0.78 ADORA1 (0.52) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5548886 0.71 MAPK8 (0.38) ALDH1A1MAPK8MEN1KMT2A
SCHEMBL3525385 0.68 PDE5A (0.43) MAPTALDH1A1NPC1RAB9AADORA2A
SCHEMBL5549374 0.67 METAP1 (0.42) CYP3A4NPC1RAB9AADORA1
SCHEMBL27815121 0.66 ALDH1A1 (0.74) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5548494 0.66 KMT2A (0.47) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL3524705 0.65 PDE5A (0.51) MAPTALDH1A1CYP1A2ADORA1ADORA2A
SCHEMBL3524781 0.65 CLK4 (0.45) ALDH1A1LMNAADORA1ADORA2AMEN1
SCHEMBL5185915 0.64 SLC6A4 (0.64) MAPTALDH1A1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709473-B2 Substituted 2H-[1,2,4]triazolo[4,3-a]pyrazines as GSK-3 inhibitors PFIZER INC. (US) 2010-05-04 US disclosed
US-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors BENBOW JOHN W 2007-10-25 US disclosed
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP 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-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP MAPT 1114/4885ALDH1A1 1164/4885LMNA 2096/4885

“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.