SCHEMBL30046405

SCHEMBL30046405

Nc1ncncc1-c1ccc(C(=O)N2CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.60
▸ HPGD P15428 5/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ AR P10275 1/20 0.47
▸ DGAT1 O75907 1/20 0.47
▸ KCNH2 Q12809 7/20 0.47
▸ ATR Q13535 2/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ CCNC P24863 2/20 0.46
▸ CDK8 P49336 2/20 0.46

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
SCHEMBL6115868 0.75 BTK (1.00) BTK
SCHEMBL27025879 0.74 MET (0.48) BTKCCNCCDK8
SCHEMBL10721733 0.72 HPGD (0.95) HPGDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL25715682 0.71 PIK3CD (0.48) BTKHPGDKCNH2CCNCCDK8
SCHEMBL264516 0.70 HPGD (0.76) HPGDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6641990 0.70 VNN1 (0.60) HPGDMAPK1ALDH1A1AR
SCHEMBL6173203 0.70 HPGD (0.59) HPGDALDH1A1
SCHEMBL7132525 0.70 HPGD (1.00) HPGDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL27479149 0.70 HPGD (1.00) HPGDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6226277 0.69 HPGD (0.60) HPGDAR

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-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2025-05-22 — — US disclosed
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2022-11-08 — — 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 (2 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-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK BTK 1/4885HPGD 2184/4885MAPK1 1514/4885
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK BTK 1/4885HPGD 2184/4885MAPK1 1514/4885

“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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