Sugi Predict

Sugi Predict / Compounds / SCHEMBL3767742

SCHEMBL3767742

SCHEMBL3767742

c1cc2cc(-c3c[nH]c4ncc(-c5ccsc5)cc34)ccc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 16/20 0.78
▸ CYP3A4 P08684 3/20 0.70
▸ CYP2D6 P10635 2/20 0.70
▸ DYRK1A Q13627 2/20 0.70
▸ DYRK2 Q92630 2/20 0.70
▸ DYRK1B Q9Y463 2/20 0.70
▸ LRRK2 Q5S007 3/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ CLK1 P49759 1/20 0.67
▸ CDK8 P49336 1/20 0.62
▸ CDK2 P24941 2/20 0.59
▸ SGK1 O00141 1/20 0.59
▸ IKBKB O14920 1/20 0.59
▸ AURKA O14965 1/20 0.59
▸ CHUK O15111 1/20 0.59
▸ PRKAB2 O43741 1/20 0.59
▸ ROCK2 O75116 1/20 0.59
▸ ABL1 P00519 1/20 0.59
▸ NTRK1 P04629 1/20 0.59
▸ INSR P06213 1/20 0.59

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
SCHEMBL723789 0.88 MAP3K11 (1.00) MAP3K11CYP3A4CYP2D6DYRK1ADYRK2
SCHEMBL12763475 0.85 MAP3K11 (0.83) MAP3K11CYP3A4CYP2D6DYRK1ADYRK2
SCHEMBL721629 0.83 MAP3K11 (1.00) MAP3K11CYP3A4CYP2D6DYRK1ADYRK2
SCHEMBL720976 0.82 MAP3K11 (1.00) MAP3K11CYP3A4CYP2D6DYRK1ADYRK2
SCHEMBL724304 0.82 MAP3K11 (0.83) MAP3K11CYP3A4CYP2D6DYRK1ADYRK2
SCHEMBL723923 0.81 MAP3K11 (1.00) MAP3K11CYP3A4CYP2D6DYRK1ADYRK2
SCHEMBL17226871 0.81 MAP3K11 (0.81) MAP3K11CYP3A4CYP2D6DYRK1ADYRK2
SCHEMBL722261 0.81 MAP3K11 (0.80) MAP3K11CYP3A4CYP2D6DYRK1ADYRK2
SCHEMBL3761982 0.80 DYRK1A (0.75) DYRK1ADYRK2DYRK1BCLK1CDK8
SCHEMBL12763001 0.80 MAP3K11 (0.82) MAP3K11CYP3A4CYP2D6DYRK1ADYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 — — US claimed
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 — — WO claimed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 — — US claimed
WO-2021006707-A1 USE OF SGK1 INHIBITOR AS THERAPEUTIC AGENT FOR INFLAMMATORY NEUROLOGICAL DISEASES 한양대학교 산학협력단 2021-01-14 — — WO disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 — — US disclosed
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 — — WO disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 — — 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 (2 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 MAP3K11 56/4885CYP3A4 2393/4885CYP2D6 2376/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 MAP3K11 48/4885CYP3A4 2475/4885CYP2D6 2644/4885

“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.