SCHEMBL22915538

SCHEMBL22915538

CCCCNc1nc(NC(=O)OC(C)(C)CCCOc2ccncc2)ncc1OCCOS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ MERTK Q12866 9/20 0.34
▸ AQP1 P29972 1/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ TYRO3 Q06418 4/20 0.33
▸ AXL P30530 2/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ GAS6 Q14393 3/20 0.32
▸ FLT3 P36888 3/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 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
SCHEMBL15469750 0.86 LMNA (0.40) LMNASMN1; SMN2STAT3MERTKKDM6B
SCHEMBL15469749 0.85 MERTK (0.41) MERTKTYRO3GAS6FLT3CA12
SCHEMBL21769127 0.76 MERTK (0.36) MERTKTYRO3AXLGAS6FLT3
SCHEMBL13195105 0.73 STK17B (0.42) MERTKTYRO3AXLGAS6FLT3
SCHEMBL13195834 0.71 L3MBTL1 (0.47) CYP1A2CYP3A4CYP2D6
SCHEMBL20219443 0.71 MERTK (0.39) MERTKTYRO3AXLGAS6FLT3
SCHEMBL20219572 0.70 CYP2D6 (0.43) LMNASMN1; SMN2STAT3KDM6BKDM4C
SCHEMBL15469746 0.70 TLR8 (0.41) SMN1; SMN2MERTKTYRO3GAS6FLT3
SCHEMBL22915542 0.67 MERTK (0.40) LMNASMN1; SMN2MERTKTYRO3AXL
SCHEMBL15469709 0.65 CYP2D6 (0.42) MERTKTYRO3AXLGAS6FLT3

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-11541050-B2 Pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2023-01-03 — — US disclosed
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2021-01-28 — — 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-11541050-B2 Pyrimidine derivatives for the treatment of viral infections TYMP, UMPS, HPRT1 LMNA 3150/4885SMN1; SMN2 3359/4885STAT3 2401/4885
US-20210023082-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, UMPS, HPRT1 LMNA 3150/4885SMN1; SMN2 3359/4885STAT3 2401/4885

“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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