SCHEMBL20064101

SCHEMBL20064101

CC1(N)CN(c2ncccn2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HSD17B10 Q99714 9/20 0.48
HPGD P15428 4/20 0.48
CYP3A4 P08684 4/20 0.46
USP2 O75604 2/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.41
CYP2D6 P10635 7/20 0.41
CYP1A2 P05177 4/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20064103 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCYP3A4USP2
SCHEMBL3205032 0.79 CYP3A4 (0.53) ALDH1A1HSD17B10HPGDCYP3A4USP2
SCHEMBL12457525 0.79 GPR119 (0.37) ALDH1A1HSD17B10HPGDCYP3A4USP2
SCHEMBL25217781 0.78 PTPN11 (0.31) ALDH1A1HSD17B10HPGD
SCHEMBL12459109 0.75 ACACB (0.33) KMT2AMEN1
SCHEMBL24921476 0.75 PTPN11 (0.39) ALDH1A1HSD17B10HPGDLMNAMAPT
SCHEMBL24921747 0.71 GPR119 (0.36) CYP3A4KDM4ERAB9A
SCHEMBL20064104 0.70 HSD17B10 (0.43) ALDH1A1HSD17B10HPGDCYP3A4USP2
SCHEMBL17135754 0.70 HSD17B10 (0.69) ALDH1A1HSD17B10HPGDCYP3A4USP2
SCHEMBL16236124 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDCYP3A4USP2

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
EP-4192822-A1 PYRIDINONE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-06-14 EP claimed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885HSD17B10 466/4885HPGD 7/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 ALDH1A1 222/4885HSD17B10 466/4885HPGD 7/4885

“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.