SCHEMBL2629451

SCHEMBL2629451

CC(C)(C)C1c2nccn2-c2ccccc2N1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.31
CYP1A2 P05177 3/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C9 P11712 3/20 0.31
CYP2C19 P33261 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ALOX15B O15296 1/20 0.31
GAA P10253 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2629449 0.76 AADAT (0.32) ALDH1A1
SCHEMBL2629452 0.74 PTPN1 (0.49) L3MBTL1GAAPTPN2PTPN1SMN1; SMN2
SCHEMBL16623860 0.68 FDPS (0.34) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23408379 0.67 RIPK1 (0.46)
SCHEMBL16623859 0.63 CYP19A1 (0.40) CYP1A2CYP2D6GAAALDH1A1POLB
SCHEMBL4403720 0.62 GPR3 (0.44) CYP3A4CYP1A2CYP2D6GAAALDH1A1
SCHEMBL14822283 0.62 GAA (0.35) GAAPTPN2PTPN1ALDH1A1
SCHEMBL22413506 0.62 ADRA2A (0.32) ALDH1A1
SCHEMBL16843173 0.61 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29141518 0.61

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-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 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-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 CYP3A4 984/4885CYP1A2 827/4885CYP2D6 721/4885

“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.