SCHEMBL25268554

SCHEMBL25268554

O=C(O)N1CC/C(=C\c2ccc(N=C(c3ccccc3)c3ccccc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 6/20 0.44
▸ SRD5A1 P18405 2/20 0.40
▸ HDAC2 Q92769 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LSS P48449 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FLT1 P17948 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL23887638 0.76 SRD5A2 (0.43) SRD5A2SRD5A1HDAC2S1PR1LSS
SCHEMBL23887668 0.76 SRD5A2 (0.43) SRD5A2SRD5A1
SCHEMBL20305039 0.73 ALDH1A1 (0.46) SRD5A2MAPTALDH1A1
SCHEMBL19995444 0.68 KMT2A (0.40) SRD5A2MAPTALDH1A1
SCHEMBL6082641 0.68 ALDH1A1 (0.46) SRD5A2S1PR1ALDH1A1
SCHEMBL6082644 0.68 ALDH1A1 (0.46) SRD5A2S1PR1ALDH1A1
SCHEMBL17750085 0.66 LSS (0.51) SRD5A2SRD5A1L3MBTL1LSS
SCHEMBL14720788 0.66 SRD5A2 (0.48) SRD5A2SRD5A1
SCHEMBL19994676 0.66 SRD5A2 (0.48) SRD5A2SRD5A1ALDH1A1
SCHEMBL2257950 0.66 SRD5A2 (0.54) SRD5A2SRD5A1HDAC2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 — — US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 — — 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 (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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 SRD5A2 1826/4885SRD5A1 1492/4885HDAC2 4095/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 SRD5A2 1826/4885SRD5A1 1492/4885HDAC2 4095/4885

“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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