SCHEMBL25211482

SCHEMBL25211482

CCOc1nc(N2CCNCC2)ncc1C(=O)Nc1cc(F)c2nn(C)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ PTPN11 Q06124 4/20 0.38
▸ LCK P06239 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ TNK2 Q07912 1/20 0.38
▸ IRAK4 Q9NWZ3 7/20 0.37
▸ ATF1 P18846 1/20 0.36
▸ NFKB1 P19838 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
SCHEMBL30422832 1.00 MAPT (0.41) MAPTPOLBHTTPTPN11LCK
SCHEMBL31485467 0.94 HSD11B1 (0.40) MAPTPOLBHTTPTPN11IRAK4
SCHEMBL31148446 0.91 IRAK4 (0.38) MAPTHTTPTPN11IRAK4ATF1
SCHEMBL25437177 0.91 IRAK4 (0.38) MAPTHTTPTPN11IRAK4ATF1
SCHEMBL31148463 0.90 IRAK4 (0.39) MAPTPOLBHTTPTPN11IRAK4
SCHEMBL30422535 0.90 HTT (0.49) MAPTPOLBHTTPTPN11
Hydrochloric Acid SCHEMBL31148450 0.89 PTPN11 (0.47) MAPTPOLBPTPN11
SCHEMBL25210578 0.89 PTPN11 (0.45) MAPTPOLBPTPN11ATF1NFKB1
Formic Acid SCHEMBL31148383 0.89 MAPT (0.40) MAPTPOLBPTPN11ATF1NFKB1
Formic Acid SCHEMBL31148454 0.88 HTT (0.35) HTTPTPN11IRAK4

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-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. 2025-04-17 — — US disclosed
WO-2023102231-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-06-08 — — 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-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RTCB, NSUN2, PRPF19 MAPT 4668/4885POLB 276/4885HTT 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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