SCHEMBL4173910

SCHEMBL4173910

Nc1ccc(-c2c[nH]c3ncc(-c4cccc(F)c4)cc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.70
▸ KIT P10721 7/20 0.70
▸ MAP3K11 Q16584 1/20 0.68
▸ DYRK1A Q13627 3/20 0.67
▸ CLK1 P49759 2/20 0.67
▸ DYRK2 Q92630 2/20 0.67
▸ DYRK1B Q9Y463 2/20 0.67
▸ PIK3CA P42336 2/20 0.66
▸ CCNT1 O60563 1/20 0.66
▸ CCNA2 P20248 1/20 0.66
▸ CDK2 P24941 1/20 0.66
▸ CDK9 P50750 1/20 0.66
▸ AXL P30530 1/20 0.62
▸ CDK8 P49336 1/20 0.62
▸ TNIK Q9UKE5 1/20 0.62
▸ SGK1 O00141 1/20 0.60
▸ CLK2 P49760 1/20 0.60
▸ CLK4 Q9HAZ1 1/20 0.60

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
SCHEMBL17319207 0.87 KIT (0.69) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL3764839 0.87 AXL (0.83) NTRK1KITMAP3K11DYRK1ACLK1
SCHEMBL3769503 0.84 AXL (0.75) NTRK1KITMAP3K11DYRK1ACDK2
SCHEMBL8320028 0.84 AXL (0.78) NTRK1KITMAP3K11CDK2AXL
SCHEMBL4157255 0.83 AXL (0.80) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL17319205 0.82 KIT (0.69) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL12763289 0.82 KIT (0.66) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL3769633 0.82 NTRK1 (0.76) NTRK1KITMAP3K11DYRK1ACLK1
SCHEMBL8320989 0.81 AXL (0.83) NTRK1KITMAP3K11DYRK1ACLK1
SCHEMBL722564 0.81 MAP3K11 (1.00) NTRK1KITMAP3K11DYRK1ACLK1

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-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 — — 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
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 NTRK1 964/4885KIT 1364/4885MAP3K11 56/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 NTRK1 997/4885KIT 1240/4885MAP3K11 48/4885

“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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