SCHEMBL31485467

SCHEMBL31485467

CCCOc1nc(N2CCNCC2)ncc1C(=O)Nc1cc(F)c2nn(C)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.40
▸ PTPN11 Q06124 3/20 0.38
▸ HTT P42858 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ IRAK4 Q9NWZ3 6/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATF1 P18846 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL25211482 0.94 MAPT (0.41) PTPN11HTTMAPTIRAK4POLB
SCHEMBL30422832 0.94 MAPT (0.41) PTPN11HTTMAPTIRAK4POLB
SCHEMBL31148446 0.90 IRAK4 (0.38) PTPN11HTTMAPTIRAK4WDR5
SCHEMBL25437177 0.90 IRAK4 (0.38) PTPN11HTTMAPTIRAK4WDR5
Formic Acid SCHEMBL31148454 0.87 HTT (0.35) PTPN11HTTIRAK4WDR5
SCHEMBL31148362 0.86 PTPN11 (0.49) HSD11B1PTPN11MAPT
SCHEMBL30422682 0.86 PTPN11 (0.49) HSD11B1PTPN11MAPT
SCHEMBL30422535 0.83 HTT (0.49) PTPN11HTTMAPTWDR5POLB
SCHEMBL31148463 0.83 IRAK4 (0.39) PTPN11HTTMAPTIRAK4POLB
SCHEMBL25210578 0.83 PTPN11 (0.45) PTPN11MAPTPOLBATF1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. 2025-04-17 — — 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 (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-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RTCB, NSUN2, PRPF19 HSD11B1 3505/4885PTPN11 4344/4885HTT 3559/4885

“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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