SCHEMBL188672

SCHEMBL188672

Nc1ccc(N2CCOCC2)c(CO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 3/20 0.61
AKR1C3 P42330 1/20 0.52
LGMN Q99538 2/20 0.45
PIK3CA P42336 2/20 0.45
MTOR P42345 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
NCF1 P14598 1/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
PIK3R1 P27986 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 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
SCHEMBL13369816 0.86 ALDH1A1 (0.57) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL24630249 0.84 MAPT (0.61) MAPTSMN1; SMN2GAALGMNPIK3CA
SCHEMBL13455200 0.84 MAPT (0.61) MAPTSMN1; SMN2GAALGMNPIK3CA
SCHEMBL29769230 0.84 MAPT (0.61) MAPTSMN1; SMN2GAALGMNPIK3CA
SCHEMBL16824898 0.83 ALDH1A1 (0.59) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL29949140 0.81 MAPT (0.58) MAPTSMN1; SMN2GAALGMNPIK3CA
SCHEMBL16824848 0.81 MAPT (0.58) MAPTSMN1; SMN2GAALGMNPIK3CA
SCHEMBL16454989 0.81 MAPT (0.58) MAPTSMN1; SMN2GAALGMNPIK3CA
SCHEMBL19496857 0.81 AKR1C3 (0.52) MAPTSMN1; SMN2GAAAKR1C3LGMN
SCHEMBL189132 0.81 MAPT (0.59) MAPTSMN1; SMN2GAAAKR1C3ALDH1A1

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570614-B2 Phenyl amino pyrimidine compounds and uses thereof GLAXOSMITH KLINE LLC (US) 2026-03-10 US disclosed
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof SIERRA ONCOLOGY, INC. (US) 2022-12-08 US disclosed
US-20210309615-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2021-10-07 US disclosed
CN-105829315-B Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2019-03-08 CN disclosed
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 EP disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 US disclosed
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
WO-2007138072-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-12-06 WO disclosed
WO-2007138072-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-12-06 WO disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
WO-2007131991-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-11-22 WO disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP 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 (7 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-12570614-B2 Phenyl amino pyrimidine compounds and uses thereof JAK1, JAK2, JAK3 MAPT 4698/4885SMN1; SMN2 4092/4885GAA 4694/4885
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 MAPT 3728/4885SMN1; SMN2 4422/4885GAA 1730/4885
US-20210309615-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 MAPT 3686/4885SMN1; SMN2 4595/4885GAA 3092/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 MAPT 1728/4885SMN1; SMN2 526/4885GAA 4135/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 MAPT 4041/4885SMN1; SMN2 3943/4885GAA 3719/4885
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof JAK2, JAK1, JAK3 MAPT 3686/4885SMN1; SMN2 4595/4885GAA 3092/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B MAPT 438/4885SMN1; SMN2 1333/4885GAA 3598/4885

“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.