SCHEMBL4112896

SCHEMBL4112896

Nc1nc(-c2ccccc2)c2nc(-c3ccc(N4CCNCC4)cc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.51
PIM3 Q86V86 5/20 0.51
PIM2 Q9P1W9 3/20 0.51
MAP4K1 Q92918 2/20 0.47
KHK P50053 1/20 0.43
CETP P11597 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL4106851 0.87 MAPT (0.55) PIM1MAP4K1ALDH1A1HPGDKDM4E
SCHEMBL4795308 0.86 PIM1 (0.51) PIM1PIM3PIM2MAP4K1KHK
SCHEMBL4110029 0.85 ATR (0.53) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL4112507 0.84 MAP4K1 (0.47) MAP4K1ALDH1A1KDM4ENPC1MAPT
SCHEMBL4112890 0.83 HTR7 (0.51) ALDH1A1HPGDADRB1KDM4EHRH4
SCHEMBL4112835 0.83 PIM1 (0.45) PIM1PIM3PIM2MAP4K1KHK
SCHEMBL4112668 0.82 MKNK2 (0.58) SIGMAR1
SCHEMBL4101654 0.82 ATR (0.53) KDM4EHRH4S1PR2LMNAKMT2A
SCHEMBL4097472 0.81 ADORA2A (0.53) ALDH1A1HPGDKDM4ELMNAKMT2A
SCHEMBL4102242 0.78 DHFR (0.44) PIM1PIM3PIM2KHKCETP

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
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD PIM1 3926/4885PIM3 2425/4885PIM2 3618/4885

“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.