SCHEMBL19987334

SCHEMBL19987334

CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)C(C)(CO)C1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
P2RY12 Q9H244 8/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BTN3A1 O00481 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRB3 P13945 1/20 0.37
PDE4A P27815 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3A Q14432 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RY2 P41231 1/20 0.36
P2RY1 P47900 1/20 0.36
P2RY6 Q15077 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
SCHEMBL19987303 0.91 CYP3A4 (0.42) CYP3A4CYP2C9
SCHEMBL19987218 0.88 CYP3A4 (0.45) CYP3A4CYP2C9P2RY12BTN3A1LMNA
SCHEMBL19987160 0.84 DNPH1 (0.46) CYP3A4CYP2C9
SCHEMBL21511174 0.83 CYP3A4 (0.48) CYP3A4CYP2C9P2RY12BTN3A1P2RY2
SCHEMBL19987147 0.83 CYP3A4 (0.48) CYP3A4CYP2C9P2RY12BTN3A1P2RY2
SCHEMBL21511201 0.83 CYP3A4 (0.45) CYP3A4CYP2C9P2RY12BTN3A1LMNA
SCHEMBL19987308 0.83 CYP3A4 (0.45) CYP3A4CYP2C9P2RY12BTN3A1LMNA
SCHEMBL19987164 0.82 CYP3A4 (0.44) CYP3A4CYP2C9P2RY12BTN3A1P2RY2
SCHEMBL19987203 0.82 NT5E (0.44) CYP3A4CYP2C9
SCHEMBL19987288 0.82 CYP3A4 (0.44) CYP3A4CYP2C9P2RY12BTN3A1P2RY2

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-20190322693-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2019-10-24 US disclosed
WO-2018049535-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2018-03-22 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 (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-20190322693-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF PNP, TYMP, MTAP CYP3A4 3805/4885CYP2C9 4343/4885P2RY12 1222/4885

“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.