SCHEMBL22025545

SCHEMBL22025545

C=N/C(=N\C(=C)C)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
CA2 P00918 2/20 0.33
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
MGLL Q99685 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL19494118 0.78 LMNA (0.41) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL19494552 0.73 HTT (0.39) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL24070337 0.70 CA12 (0.41) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL8252369 0.69
SCHEMBL23559672 0.69 SMN1; SMN2 (0.34) LMNASMN1; SMN2ALDH1A1GAAPKM
SCHEMBL21516984 0.68 SMN1; SMN2 (0.39) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL13622850 0.67 LMNA (0.56) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL26537626 0.67 LMNA (0.43) LMNASMN1; SMN2CA12CA1CA9
SCHEMBL14983797 0.66 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA9CA2
SCHEMBL24318148 0.65 SMN1; SMN2 (0.40) LMNASMN1; SMN2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107603-A1 PYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-24 US disclosed
EP-3059238-B1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2020-05-27 EP disclosed
EP-3235816-B1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2020-02-12 EP disclosed
EP-3441387-A1 PI3K INHIBITOR, AND PHARMACEUTICALLY ACCEPTABLE SALT, POLYCRYSTALLINE FORM, AND APPLICATION THEREOF Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2019-02-13 EP disclosed
EP-2860181-B1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2019-02-13 EP disclosed
EP-3053926-B1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2018-08-08 EP disclosed
EP-3235816-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2017-10-25 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 (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-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 LMNA 2991/4885SMN1; SMN2 837/4885CA12 3971/4885

“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.