SCHEMBL20856880

SCHEMBL20856880

CCOc1ccc2nc3cc(N)c(N)cc3cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ TERT O14746 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ NCF1 P14598 5/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CASP3 P42574 1/20 0.43

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
Lactic Acid SCHEMBL8355582 0.87 ALDH1A1 (0.60) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL20856778 0.79 KMT2A (0.59) TSHRALDH1A1TP53CYP3A4HSD17B10
Water SCHEMBL30558837 0.79 TLR8 (0.51) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL5952240 0.73 MEN1 (0.66) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL30646246 0.73 MEN1 (0.66) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL23458226 0.72 NQO1 (0.62) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL29629327 0.72 NQO1 (0.68) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL3825385 0.72 NQO1 (0.68) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL9694076 0.71 KDM4E (0.54) TSHRALDH1A1TP53CYP3A4HSD17B10
SCHEMBL23452966 0.71 NCF1 (0.74) TSHRALDH1A1TP53CYP3A4HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity WASHINGTON UNIVERSITY (US) 2025-03-11 — — US disclosed
US-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2023-08-31 — — US disclosed
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2020-09-10 — — US disclosed
WO-2019067625-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADASE ACTIVITY WASHINGTON UNIVERSITY (US) 2019-04-04 — — 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 (3 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-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP TSHR 2861/4885ALDH1A1 2853/4885TP53 1377/4885
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity NADK, NAPRT, TIPARP TSHR 2861/4885ALDH1A1 2853/4885TP53 1377/4885
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP TSHR 2861/4885ALDH1A1 2853/4885TP53 1377/4885

“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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