SCHEMBL17618669

SCHEMBL17618669

O=C(Nc1cnccn1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ PIM2 Q9P1W9 3/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BRAF P15056 3/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ SYK P43405 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PIM3 Q86V86 2/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34

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
SCHEMBL16249951 0.95 ABL1 (0.38) POLBPIM2ALOX15TSHRCASP1
SCHEMBL17618361 0.92 ALOX15 (0.43) POLBALOX15TSHRCASP1NPSR1
SCHEMBL16238017 0.92 TRPV1 (0.39) PIM2ALOX15TSHRHSD17B10ABL1
SCHEMBL16238662 0.92 TRPV1 (0.39) PIM2ALOX15TSHRHSD17B10ABL1
SCHEMBL17618619 0.90 PIM2 (0.37) POLBPIM2ABL1BRAFSCN10A
SCHEMBL17618654 0.90 ROCK2 (0.39) PIM2ABL1PIM3CYP3A4CYP2D6
SCHEMBL19669051 0.89 MAPT (0.38) POLBPIM2ALOX15TSHRCASP1
SCHEMBL17618716 0.88 KMT2A (0.37) PIM2PIM3DYRK1APIM1
SCHEMBL17618642 0.88 DGAT2 (0.36) PIM2MAPTPIM3DYRK1APIM1
SCHEMBL17618637 0.88 FAAH (0.40) PIM2ABL1BRAFPIM3IDH2

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 POLB 798/4885PIM2 3491/4885ALOX15 3553/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 POLB 961/4885PIM2 3242/4885ALOX15 3469/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 POLB 961/4885PIM2 3242/4885ALOX15 3469/4885

“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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