SCHEMBL17636870

SCHEMBL17636870

O=C(c1c(F)cccc1F)c1n[nH]c2ncc(-c3cnc(N4CCOCC4)s3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CTSC P53634 1/20 0.41
▸ WNT1 P04628 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK7 Q13164 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL15805265 0.84 CYP2C19 (0.44) RAF1BRAFCTSKCTSCNPC1
SCHEMBL17636833 0.77 PDE7A (0.39) RAF1BRAFCNR2MAPTCHEK1
SCHEMBL17636850 0.72 RAF1 (0.36) RAF1BRAFCTSKCTSCCNR2
SCHEMBL17636858 0.71 LRRK2 (0.40) RAF1BRAFCTSKCTSCMAPT
SCHEMBL28120147 0.71 STK4 (0.47) RAF1BRAFNPC1RAB9ACNR2
SCHEMBL17636848 0.71 PDE7A (0.39) RAF1BRAFRAB9AMAPTGAA
SCHEMBL15805290 0.71 BTK (0.49) DYRK1A
SCHEMBL28873939 0.68 SMN1; SMN2 (0.57) RAF1BRAFNPC1RAB9ACNR2
SCHEMBL27891106 0.68 AR (0.58) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL17636868 0.67 PAK1 (0.62) DYRK1AGSK3B

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-9951062-B2 Substituted 1 H-pyrrolo [2, 3-b] pyridine and 1 H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-04-24 — — US disclosed
US-9951062-B2 Substituted 1 H-pyrrolo [2, 3-b] pyridine and 1 H-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (SIK2) inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-04-24 — — US disclosed
US-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-03-31 — — US disclosed
US-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors ARRIEN PHARMACEUTICALS LLC 2016-03-31 — — 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-20160090382-A1 Substituted 1 H-Pyrrolo [2, 3-b] pyridine and 1 H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors SIK2, SIK1, SIK3 RAF1 127/4885BRAF 205/4885CTSK 2371/4885

“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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