SCHEMBL19275108

SCHEMBL19275108

CCCCNCc1c[nH]c2nc(NC)[nH]c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.38
▸ PNP P00491 3/20 0.35
▸ HPRT1 P00492 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ PARP1 P09874 1/20 0.33

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
SCHEMBL17662614 0.84 PNP (0.46) PNP
Hydrochloric Acid SCHEMBL19328559 0.82 PNP (0.46) PNP
SCHEMBL17652035 0.81 LMNA (0.35) XDHPNPPOLB
SCHEMBL19270444 0.80 PNP (0.37) XDHPNP
SCHEMBL17652055 0.79 PNP (0.45) PNP
Hydrochloric Acid SCHEMBL19253840 0.78 PNP (0.44) PNP
SCHEMBL17652081 0.78 LMNA (0.36) XDHPOLB
SCHEMBL19929245 0.75 PNP (0.48) PNP
SCHEMBL19253834 0.69 MPO (0.39) —
SCHEMBL19270442 0.69 MPO (0.43) —

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-20170258797-A1 TREATMENTS FOR AUTOIMMUNE DISEASE THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2017-09-14 — — US disclosed
US-20170240553-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES THE PROVOST FELLOWS FOUNDATION SCHOLARS AND THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2017-08-24 — — 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-20170240553-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES TYMS, DPYD, C5 XDH 7/4885PNP 66/4885HPRT1 38/4885
US-20170258797-A1 TREATMENTS FOR AUTOIMMUNE DISEASE QTRT1, QTRT2, HPRT1 XDH 50/4885PNP 67/4885HPRT1 3/4885

“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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