SCHEMBL6515380

SCHEMBL6515380

c1cc2cc(c1)NCCNC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.45
TERT O14746 2/20 0.40
CHKA P35790 3/20 0.37
PNMT P11086 2/20 0.34
CD44 P16070 2/20 0.34
MAOB P27338 1/20 0.34
JAK2 O60674 3/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
FLT3 P36888 1/20 0.31
CCNA1 P78396 1/20 0.31
PKN2 Q16513 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
TYK2 P29597 1/20 0.31
ALK Q9UM73 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL29386754 0.80 APEX1 (0.60) APEX1TERTCHKAPNMTCD44
SCHEMBL18128899 0.80 APEX1 (0.60) APEX1TERTCHKAPNMTCD44
SCHEMBL30050918 0.80 APEX1 (0.60) APEX1TERTCHKAPNMTCD44
Hydrogen Sulfide SCHEMBL28492811 0.78
Naphthalene SCHEMBL11585432 0.72 CHKA (0.46) APEX1CHKAJAK2NISCHJAK1
SCHEMBL21955684 0.71 APEX1 (0.42) APEX1TERTCHKA
SCHEMBL19089065 0.71 APEX1 (0.42) APEX1TERTCHKA
SCHEMBL4359812 0.71
SCHEMBL9566479 0.69 ACHE (0.43) APEX1TERTPNMTCD44MAOB
Ethylamine SCHEMBL17061531 0.69 CHKA (0.43) CHKAJAK2JAK1JAK3TYK2

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-20050171094-A1 Pyrrolopyrimidine derivatives TEIJIN, LIMITED (JP) 2005-08-04 US disclosed
EP-1477490-A1 PYRROLOPYRIMIDINE DERIVATIVE TEIJIN LIMITED (JP) 2004-11-17 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-20050171094-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP APEX1 4225/4885TERT 3035/4885CHKA 918/4885

“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.