SCHEMBL17076827

SCHEMBL17076827

Cn1nc(C(=O)N2CCOCC2)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 6/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 6/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 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
SCHEMBL2214941 0.88 HPGD (0.50) HPGDTSHRESR2SMN1; SMN2NPC1
SCHEMBL15649920 0.82 SMN1; SMN2 (0.50) HPGDTSHRESR2SMN1; SMN2NPC1
SCHEMBL13817563 0.81 HPGD (0.48) HPGDTSHRESR2SMN1; SMN2NPC1
SCHEMBL27249711 0.81 NR2E1 (0.56) HPGDTSHRESR2SMN1; SMN2NPC1
SCHEMBL14912963 0.77 SMN1; SMN2 (0.47) HPGDTSHRSMN1; SMN2NPC1MAPT
SCHEMBL29092152 0.76 PLA2G10 (0.49) L3MBTL1MEN1KMT2A
SCHEMBL17473523 0.75 SMN1; SMN2 (0.48) HPGDTSHRSMN1; SMN2NPC1MAPT
SCHEMBL14930399 0.75 SMN1; SMN2 (0.51) HPGDSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3648328 0.74 KMT2A (0.43) HPGDTSHRESR2SMN1; SMN2NPC1
SCHEMBL15651814 0.73 CXCR4 (0.42) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — 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 (5 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HPGD 4082/4885TSHR 1137/4885ESR2 1873/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HPGD 3245/4885TSHR 1435/4885ESR2 2654/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HPGD 4082/4885TSHR 1137/4885ESR2 1873/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HPGD 4156/4885TSHR 1024/4885ESR2 2084/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HPGD 4156/4885TSHR 1024/4885ESR2 2084/4885

“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.

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