SCHEMBL15831720

SCHEMBL15831720

CNc1nc(Cl)nc2c1CCCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 4/20 0.36
MAPK1 P28482 2/20 0.36
NSD2 O96028 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BPTF Q12830 1/20 0.35
KDM4E B2RXH2 1/20 0.35
YTHDC1 Q96MU7 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL6457209 0.98 HTT (0.48) HTTLMNAALDH1A1MAPTHPGD
SCHEMBL11290218 0.94 HTT (0.45) HTTLMNAALDH1A1MAPTHPGD
SCHEMBL13107378 0.79 HTT (0.49) HTTLMNAALDH1A1MAPTHPGD
SCHEMBL805523 0.79 HTT (0.49) HTTLMNAALDH1A1MAPTHPGD
SCHEMBL12653899 0.77 HTT (0.50) HTTLMNAALDH1A1MAPTHPGD
SCHEMBL805494 0.75 HTR2C (0.48) HTTLMNAALDH1A1MAPTHPGD
SCHEMBL2270436 0.75 LMNA (0.41) HTTLMNAALDH1A1NPSR1CYP1A2
SCHEMBL23816987 0.74 MAPK1 (0.46) ALDH1A1CYP1A2ACHEMAPK1NSD2
SCHEMBL16136206 0.74 MAPK1 (0.46) ALDH1A1CYP1A2ACHEMAPK1NSD2
SCHEMBL15831715 0.74 MAPK1 (0.46) ALDH1A1CYP1A2ACHEMAPK1NSD2

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-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-26 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 (2 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-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, FGFR3, FGFR1 HTT 2579/4885LMNA 4080/4885ALDH1A1 3567/4885
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, IPMK, IP6K2 HTT 3168/4885LMNA 4413/4885ALDH1A1 3068/4885

“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.