SCHEMBL25439487

SCHEMBL25439487

COc1nc(N2CCNCC2)ncc1C(=O)Nc1cc(F)c2nc(C)cn2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ PTPN11 Q06124 5/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK7 Q13164 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ GPR6 P46095 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 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
Hydrochloric Acid SCHEMBL31148435 0.99 BCL6 (0.40) BCL6MAPTPTPN11PTK6AURKB
SCHEMBL30422856 0.92 MAPT (0.45) BCL6MAPTPTPN11PTK6AURKB
SCHEMBL25418681 0.92 MAPT (0.45) BCL6MAPTPTPN11PTK6AURKB
Hydrochloric Acid SCHEMBL30422569 0.91 MAPT (0.45) BCL6MAPTPTPN11PTK6AURKB
SCHEMBL31148365 0.89 MAPT (0.47) MAPTPTPN11PTK6AURKBPOLB
SCHEMBL16339854 0.86 HDAC3 (0.39) MAPTPTK6AURKBPOLBGPR6
SCHEMBL30423033 0.85 PTPN11 (0.54) MAPTPTPN11
Trifluoroacetic Acid SCHEMBL30422964 0.85 MAPT (0.43) MAPTPTPN11POLB
SCHEMBL24032909 0.85 MAPK7 (0.44) MAPTPTK6AURKBHTTMAPK7
SCHEMBL16339353 0.84 IKBKE (0.39) BCL6MAPTPTK6AURKBPOLB

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-20250122192-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. 2025-04-17 — — US disclosed
EP-4441042-A1 5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND METHODS OF USING THE SAME Rgenta Therapeutics, Inc. (US) 2024-10-09 — — EP disclosed
CN-118748995-A 5-Pyrimidine carboxamide derivatives and methods of use thereof 亚根达医疗公司 2024-10-08 — — CN 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 BCL6 2472/4885MAPT 4668/4885PTPN11 4344/4885

“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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