SCHEMBL12365653

SCHEMBL12365653

COC(=O)c1cc(C)n2ncnc(Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDR P35968 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MBOAT4 Q96T53 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ MYC P01106 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13869022 0.84 KDR (0.37) MAPK1HPGDKDRKDM4EMAPT
SCHEMBL12365528 0.84 MAPK1 (0.41) MAPK1HPGDKDRKDM4EMAPT
SCHEMBL12537629 0.84 KDM4E (0.42) KDM4EMYCKMT2AALDH1A1
SCHEMBL14537333 0.83 NTRK1 (0.44) MAPK1HPGDKDRKDM4EPIK3CD
SCHEMBL13695383 0.82 MAPK1 (0.38) MAPK1HPGDKDRKDM4EMAPT
SCHEMBL13695385 0.80 MBOAT4 (0.37) MAPK1HPGDKDRKDM4EMAPT
SCHEMBL13695386 0.80 EGLN2 (0.42) MAPK1HPGDKDRKDM4EMAPT
SCHEMBL12365652 0.77 MAPK1 (0.37) MAPK1HPGDKDRKDM4EMAPT
SCHEMBL12365533 0.76 MAPK1 (0.36) MAPK1HPGDKDRKDM4EMAPT
SCHEMBL13695382 0.75 MBOAT4 (0.35) MAPK1HPGDKDRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994139-B2 Antiviral therapeutic agents BIOCRYST PHARMACEUTICALS, INC. (US) 2011-08-09 — — US disclosed
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 — — EP disclosed
US-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-10 — — 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-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS EIF2AK2, ZC3HAV1, MAVS MAPK1 2200/4885HPGD 2870/4885KDR 2910/4885

“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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