SCHEMBL17618607

SCHEMBL17618607

CS(=O)(=O)c1cncc(-c2ccc3c(n2)N(C(=O)Nc2cccnc2)[C@H]2CCCN3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ HTR2C P28335 8/20 0.37
▸ HTR2A P28223 7/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL17618608 0.89 SCN10A (0.38) PIM2DGAT2BTKPIK3C3
SCHEMBL17618725 0.89 ALDH1A1 (0.43) ALDH1A1MAPTPIM3PIM2HTR2C
SCHEMBL17618673 0.89 PIM3 (0.47) ALDH1A1MAPTLMNAPIM3PIM2
SCHEMBL17618611 0.88 FAAH (0.38) PIM3PIM2DGAT2PIK3C3
SCHEMBL17618609 0.88 PIK3C3 (0.41) PIM3PIM2DGAT2GSK3BPIK3C3
SCHEMBL19706085 0.87 HTR2A (0.42) ALDH1A1MAPTLMNAPIM3PIM2
SCHEMBL17618606 0.87 PIK3C3 (0.40) LMNAPIM3PIM2DGAT2GSK3B
SCHEMBL17618610 0.85 PIK3C3 (0.38) PIM3PIM2DGAT2PIK3C3
SCHEMBL17618622 0.85 HTR2C (0.45) ALDH1A1MAPTPIM3PIM2HTR2C
SCHEMBL19699063 0.84 HTR2A (0.44) ALDH1A1MAPTPIM3PIM2HTR2C

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 ALDH1A1 1910/4885MAPT 303/4885LMNA 3671/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1726/4885MAPT 267/4885LMNA 3617/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ALDH1A1 1726/4885MAPT 267/4885LMNA 3617/4885

“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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