SCHEMBL30299490

SCHEMBL30299490

FC1(F)CC(Nc2nccc(-c3ccccc3)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.51
IKBKB O14920 3/20 0.47
IDH2 P48735 3/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
ROCK2 O75116 4/20 0.44
VCP P55072 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
JAK2 O60674 1/20 0.41

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
SCHEMBL30299645 0.83 IKBKB (0.59) IKBKBHDAC8HDAC6CCNA2CDK2
SCHEMBL21621267 0.83 IKBKB (0.59) IKBKBHDAC8HDAC6CCNA2CDK2
SCHEMBL4488019 0.82 MEN1 (0.48) IKBKBHDAC8HDAC6CCNA2CDK2
SCHEMBL13638678 0.74 IKBKB (0.42) IKBKBHDAC8HDAC6CCNA2CDK2
SCHEMBL30299497 0.74 VCP (0.45) IKBKBHDAC8HDAC6VCPABL1
SCHEMBL3472520 0.73 IKBKB (0.46) IKBKBROCK2
SCHEMBL21621306 0.72 CDK4 (0.63) IKBKBHDAC8MAPK1ROCK2
SCHEMBL3474378 0.71 ROCK2 (0.49) IKBKBHDAC8HDAC6ROCK2ABL1
SCHEMBL3471613 0.70 IKBKB (0.49) IKBKBCCNA2CDK2ROCK2
SCHEMBL5316895 0.70 TDP1 (0.63) IKBKBVCPABL1EGFRPRKCA

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-20240383863-A1 PREPARATION METHOD FOR PYRIMIDINE-2-AMINE INSTITUTE FOR BASIC SCIENCE (KR) 2024-11-21 US disclosed
WO-2023043292-A1 PREPARATION METHOD FOR PYRIMIDINE-2-AMINE 기초과학연구원 2023-03-23 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-20240383863-A1 PREPARATION METHOD FOR PYRIMIDINE-2-AMINE NUDT1, UMPS, DPYD IDH1 335/4885IKBKB 2476/4885IDH2 198/4885

“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.