SCHEMBL4581852

SCHEMBL4581852

C[C@@H](Nc1ncc(Br)c(N2CCNC(=O)C2c2ccccc2)n1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 17/20 0.44
IGF1R P08069 3/20 0.42
NTRK1 P04629 2/20 0.42

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
SCHEMBL4581848 1.00 IDH1 (0.44) IDH1IGF1RNTRK1
SCHEMBL4580856 0.82 IDH1 (0.56) IDH1
SCHEMBL4581501 0.82 IDH1 (0.56) IDH1
SCHEMBL4581855 0.82 IDH1 (0.56) IDH1
SCHEMBL4581905 0.82 IDH1 (0.56) IDH1
SCHEMBL4581908 0.79 ABL1 (0.42)
SCHEMBL4581083 0.70 IDH1 (0.44) IDH1
SCHEMBL4583141 0.69 IDH1 (0.55) IDH1
SCHEMBL4581212 0.69 IDH1 (0.43) IDH1
SCHEMBL4581007 0.67 HRH4 (0.54) IDH1

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-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 IDH1 424/4885IGF1R 207/4885NTRK1 901/4885

“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.