SCHEMBL19769129

SCHEMBL19769129

NC(=O)c1cc2c(-c3cccc(-c4ccccc4)c3)cncc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K8 P41279 5/20 1.00
▸ GSK3A P49840 12/20 0.85
▸ PIM1 P11309 11/20 0.85
▸ GSK3B P49841 11/20 0.85
▸ DYRK1A Q13627 11/20 0.85
▸ CDK2 P24941 10/20 0.85
▸ CSNK1D P48730 10/20 0.85
▸ CDK1 P06493 9/20 0.85
▸ CHEK2 O96017 9/20 0.85
▸ MAPK9 P45984 9/20 0.85
▸ KDR P35968 9/20 0.85
▸ AURKB Q96GD4 9/20 0.85
▸ CDK5 Q00535 9/20 0.85
▸ DAPK3 O43293 8/20 0.85
▸ PLK4 O00444 8/20 0.85
▸ LIMK1 P53667 8/20 0.85
▸ AURKA O14965 8/20 0.85
▸ CSNK2A1 P68400 7/20 0.85
▸ RPS6KA3 P51812 7/20 0.85
▸ PRKACA P17612 7/20 0.85

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
SCHEMBL7056743 0.92 GSK3A (1.00) MAP3K8GSK3APIM1GSK3BDYRK1A
SCHEMBL5555935 0.90 MAP3K8 (1.00) MAP3K8GSK3APIM1GSK3BDYRK1A
SCHEMBL5550289 0.87 MAP3K8 (0.77) MAP3K8GSK3APIM1GSK3BDYRK1A
SCHEMBL19769127 0.87 MAP3K8 (0.81) MAP3K8GSK3APIM1GSK3BDYRK1A
SCHEMBL7056280 0.86 MAP3K8 (0.76) MAP3K8GSK3APIM1GSK3BDYRK1A
SCHEMBL19780834 0.84 PIM1 (0.80) MAP3K8GSK3APIM1GSK3BDYRK1A
SCHEMBL5550278 0.84 MAP3K8 (0.72) MAP3K8GSK3APIM1GSK3BDYRK1A
SCHEMBL19769174 0.84 PIM1 (0.74) MAP3K8GSK3APIM1GSK3BDYRK1A
SCHEMBL7056577 0.83 GSK3A (0.78) MAP3K8GSK3APIM1GSK3BDYRK1A
SCHEMBL19769161 0.81 PIM1 (0.79) MAP3K8GSK3APIM1GSK3BDYRK1A

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-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 — — US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 — — 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-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 MAP3K8 3639/4885GSK3A 1892/4885PIM1 1098/4885

“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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