SCHEMBL10085237

SCHEMBL10085237

CC(C)(C)OC(=O)Nc1nc(Cl)nc2c1nc(Br)n2Cc1ccc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.37
CACNA1H O95180 2/20 0.36
NT5E P21589 2/20 0.35
YTHDC1 Q96MU7 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
BRD4 O60885 1/20 0.35
CCR9 P51686 1/20 0.34
AR P10275 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
P2RX3 P56373 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL14944669 0.77 BRD4 (0.48) NT5EYTHDC1BRD4TSHRPTGDR2
SCHEMBL14944672 0.75 BRD4 (0.44) NT5EYTHDC1BRD4USP2TSHR
SCHEMBL823231 0.75 CDK1 (0.48) YTHDC1SMN1; SMN2
SCHEMBL823232 0.73 ADORA2A (0.47) NT5ECYP11B1CYP11B2
SCHEMBL10085238 0.67 TLR7 (0.49) YTHDC1BRD4
SCHEMBL27157711 0.65 NT5E (0.44) NT5EYTHDC1POLB
SCHEMBL21076832 0.65 YTHDC1 (0.50) YTHDC1P2RX3
SCHEMBL959690 0.65 EGLN2 (0.55) EGLN2POLBTSHRHDAC8
SCHEMBL3274015 0.64 EPHX2 (0.58)
SCHEMBL6468119 0.64 AR (0.49) EGLN2CACNA1HCYP11B1CYP11B2AR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC (GB) 2012-01-12 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-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 EGLN2 4269/4885CACNA1H 1415/4885NT5E 4331/4885

“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.