SCHEMBL20089101

SCHEMBL20089101

Nc1cnc(N2CCCCC2)nc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1776789 0.98 PTPN11 (0.49) PTPN11ALDH1A1KDM4EGLAGAA
SCHEMBL10998112 0.81 SMN1; SMN2 (0.46) PTPN11ALDH1A1KDM4EGLAGAA
SCHEMBL9160075 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL29757649 0.81 HRH4 (0.56) ALDH1A1HSD17B10TSHRMAPK1KMT2A
SCHEMBL2255793 0.79 POLB (0.47) PTPN11ALDH1A1KDM4EGLAGAA
SCHEMBL31513695 0.79 KDM4E (0.47) PTPN11ALDH1A1KDM4EGLAGAA
SCHEMBL10187339 0.79 KDM4E (0.47) PTPN11ALDH1A1KDM4EGLAGAA
SCHEMBL10999945 0.79 ALDH1A1 (0.45) PTPN11ALDH1A1KDM4EGLAGAA
SCHEMBL5805886 0.79 ALDH1A1 (0.55) PTPN11ALDH1A1KDM4EGLAGAA
SCHEMBL1143659 0.78 CSNK1A1 (0.49) PTPN11ALDH1A1KDM4EGLAGAA

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-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD (CN) 2018-04-26 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 (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-20180111927-A1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF PARP1, PARP8, PARP11 PTPN11 3829/4885ALDH1A1 316/4885KDM4E 1873/4885

“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.