SCHEMBL17618619

SCHEMBL17618619

O=C(Nc1ccncn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 4/20 0.37
▸ ABL1 P00519 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ KDR P35968 5/20 0.34
▸ LCK P06239 4/20 0.34
▸ TEK Q02763 4/20 0.34
▸ PIM3 Q86V86 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SRPK2 P78362 1/20 0.34
▸ SRPK1 Q96SB4 1/20 0.34
▸ SRPK3 Q9UPE1 1/20 0.34
▸ AR P10275 1/20 0.34
▸ BRAF P15056 3/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ INSR P06213 1/20 0.33

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
SCHEMBL17618552 0.95 ABL1 (0.38) PIM2ABL1DYRK1ASCN10ASCN9A
SCHEMBL16238662 0.91 TRPV1 (0.39) PIM2ABL1DYRK1ASCN10APIM3
SCHEMBL17618363 0.91 MPL (0.42) SCN9A
SCHEMBL16238017 0.91 TRPV1 (0.39) PIM2ABL1DYRK1ASCN10APIM3
SCHEMBL17618669 0.90 POLB (0.40) PIM2ABL1DYRK1ASCN10APIM3
SCHEMBL19365551 0.88 PIM2 (0.34) PIM2PIM3PIM1
SCHEMBL17618730 0.88 LRRK2 (0.36) PIM2DYRK1APIM3SCN9APIM1
SCHEMBL17618618 0.88 FGFR4 (0.38) ABL1DYRK1ASCN10AKDRLCK
SCHEMBL16754349 0.87 SCN10A (0.38) PIM2ABL1SCN10AKDRLCK
SCHEMBL17618637 0.87 FAAH (0.40) PIM2ABL1PIM3BRAFCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3491/4885ABL1 3987/4885DYRK1A 2415/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3242/4885ABL1 4089/4885DYRK1A 2623/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885ABL1 4089/4885DYRK1A 2623/4885

“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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