SCHEMBL3728481

SCHEMBL3728481

O=C1Nc2ncccc2CN1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 18/20 0.43
CALCRL Q16602 1/20 0.42
ENPP1 P22413 1/20 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
SCHEMBL1198050 0.91 MAPK1 (0.44) IDH1CALCRLENPP1
Hydrochloric Acid SCHEMBL2322170 0.90 MAPK1 (0.43) IDH1CALCRLENPP1
SCHEMBL27305349 0.90 CHRM2 (0.44) IDH1CALCRL
SCHEMBL13801274 0.87 CALCRL (0.44) IDH1CALCRL
SCHEMBL23257321 0.86 PARP2 (0.47) IDH1CALCRL
SCHEMBL2214219 0.86 CALCRL (0.51) IDH1CALCRL
SCHEMBL5242632 0.86 CALCRL (0.43) IDH1CALCRL
SCHEMBL14410176 0.86 PARP1 (0.47) IDH1CALCRL
SCHEMBL3956507 0.83 CHRM4 (0.52)
SCHEMBL12080852 0.80 HTR2A (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 IDH1 3132/4885CALCRL 3162/4885ENPP1 4350/4885

“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.