SCHEMBL30116795

SCHEMBL30116795

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.40
▸ TLR8 Q9NR97 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ CTNNB1 P35222 1/20 0.32
▸ TCF7L2 Q9NQB0 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TLR7 Q9NYK1 4/20 0.32
▸ CASP6 P55212 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 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
SCHEMBL23704384 0.88 SLC29A1 (0.42) SLC29A1TLR8ALDH1A1CTNNB1TCF7L2
SCHEMBL25160554 0.87 SLC29A1 (0.41) SLC29A1TLR8TSHRALDH1A1RIPK1
SCHEMBL23718603 0.86 SLC29A1 (0.40) SLC29A1TLR8TSHRALDH1A1RIPK1
SCHEMBL30097316 0.86 SLC29A1 (0.40) SLC29A1TLR8TSHRALDH1A1RIPK1
SCHEMBL23713662 0.86 SLC29A1 (0.40) SLC29A1TLR8TSHRALDH1A1RIPK1
SCHEMBL30116776 0.86 SLC29A1 (0.38) SLC29A1TLR8TSHRALDH1A1RIPK1
SCHEMBL30116769 0.86 SLC29A1 (0.38) SLC29A1TLR8TSHRALDH1A1RIPK1
SCHEMBL28878917 0.78 SLC29A1 (0.44) SLC29A1TLR8TSHRALDH1A1RIPK1
SCHEMBL23718561 0.76 F2 (0.31) ALDH1A1LMNA
SCHEMBL30097870 0.76 F2 (0.31) ALDH1A1LMNA

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 997/4885TLR8 8/4885TSHR 866/4885

“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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