SCHEMBL30116769

SCHEMBL30116769

CCCCNc1nc(NC(=O)OC)nc2c(C(F)(F)F)n[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ RIPK1 Q13546 2/20 0.31
▸ AXL P30530 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ GAS6 Q14393 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ TLR8 Q9NR97 2/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL30116776 1.00 SLC29A1 (0.38) SLC29A1ALDH1A1KDM4EHPGDTSHR
SCHEMBL23704393 0.89 SLC29A1 (0.40) SLC29A1ALDH1A1KDM4EHPGDRIPK1
SCHEMBL30116795 0.86 SLC29A1 (0.40) SLC29A1ALDH1A1TSHRRIPK1AXL
SCHEMBL25160554 0.84 SLC29A1 (0.41) SLC29A1ALDH1A1TSHRRIPK1TLR8
SCHEMBL23713662 0.84 SLC29A1 (0.40) SLC29A1ALDH1A1TSHRRIPK1MERTK
SCHEMBL23718603 0.84 SLC29A1 (0.40) SLC29A1ALDH1A1TSHRRIPK1AXL
SCHEMBL30097316 0.84 SLC29A1 (0.40) SLC29A1ALDH1A1TSHRRIPK1MERTK
SCHEMBL23718731 0.77 TLR8 (0.47) TLR8TLR7
SCHEMBL28878917 0.76 SLC29A1 (0.44) SLC29A1ALDH1A1KDM4ETSHRRIPK1
SCHEMBL23704384 0.74 SLC29A1 (0.42) SLC29A1ALDH1A1KDM4EHPGDTLR8

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-20230127326-A1 C3-SUBSTITUTED 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 — — US disclosed
EP-4097107-A1 C3-SUBSTITUTED 1H-PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS Bristol-Myers Squibb Company (US) 2022-12-07 — — EP 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-20230127326-A1 C3-SUBSTITUTED 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR3, TLR9 SLC29A1 997/4885ALDH1A1 2070/4885KDM4E 3054/4885

“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.

Send feedback