SCHEMBL5114471

SCHEMBL5114471

c1ccc(NNc2ccc(-n3cncn3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.53
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2A6 P11509 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CYP26A1 O43174 1/20 0.43
CTSD P07339 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FBP1 P09467 1/20 0.42
ROCK1 Q13464 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
SCHEMBL1009561 0.82 CYP2A6 (0.64) MAPK10ALDH1A1SMN1; SMN2KDM4ECYP2A6
SCHEMBL11249373 0.79 ALDH1A1 (0.56) MAPK10ALDH1A1SMN1; SMN2KDM4ECYP2A6
SCHEMBL5114466 0.79 MAPK10 (0.48) MAPK10ALDH1A1SMN1; SMN2KDM4ECYP2A6
SCHEMBL14076589 0.78 SMN1; SMN2 (0.55) MAPK10ALDH1A1SMN1; SMN2KDM4ECYP2A6
SCHEMBL7834558 0.78 SMN1; SMN2 (0.55) MAPK10ALDH1A1SMN1; SMN2KDM4ECYP2A6
Hydrochloric Acid SCHEMBL8659154 0.76 SMN1; SMN2 (0.53) MAPK10ALDH1A1SMN1; SMN2KDM4ECYP2A6
SCHEMBL1165268 0.76 SMN1; SMN2 (0.53) MAPK10ALDH1A1SMN1; SMN2KDM4ECYP2A6
SCHEMBL14009163 0.76 ROCK1 (0.51) MAPK10ALDH1A1SMN1; SMN2KDM4EPSEN1
SCHEMBL14009058 0.76 ROCK1 (0.51) MAPK10ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL7016284 0.75 CYP1A2 (0.55) MAPK10ALDH1A1SMN1; SMN2KDM4ECYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed

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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP MAPK10 3480/4885ALDH1A1 1142/4885SMN1; SMN2 2183/4885

“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.