SCHEMBL19699060

SCHEMBL19699060

O=C(Nc1ccccc1)N1c2nc(-c3cncc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.38
▸ LMNA P02545 4/20 0.36
▸ SSTR2 P30874 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ GOT1 P17174 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ NPC1 O15118 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
SCHEMBL17618729 0.92 HTR2A (0.44) LMNA
SCHEMBL17618539 0.88 CNR2 (0.39) ABL1IRAK4CNR2MAPTPDE4A
SCHEMBL19706056 0.88 PIM2 (0.38) ABL1LMNAIRAK4MAPTTP53
SCHEMBL19706085 0.87 HTR2A (0.42) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17618745 0.87 HTR2A (0.45) LMNA
SCHEMBL17618551 0.85 MAPT (0.36) ABL1MALT1MAPTRAB9A
SCHEMBL17618526 0.84 FAAH (0.35) ABL1IRAK4MAPT
SCHEMBL17618437 0.84 CNR2 (0.39) LMNACNR2MALT1CYP1A2CYP2C9
SCHEMBL17618541 0.84 SCD (0.38) ABL1CYP1A2CYP2C9
SCHEMBL17618428 0.83 TSHR (0.46) ABL1MALT1MAPTTP53

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 3 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

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885LMNA 3617/4885SSTR2 3664/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885LMNA 3617/4885SSTR2 3664/4885

“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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