SCHEMBL17618673

SCHEMBL17618673

O=C(Nc1cccnc1)N1c2nc(-c3cccnc3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM3 Q86V86 2/20 0.47
▸ PIM2 Q9P1W9 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTR2C P28335 7/20 0.42
▸ HTR2A P28223 5/20 0.42
▸ FAAH O00519 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL17618725 0.92 ALDH1A1 (0.43) PIM3PIM2ALDH1A1MAPTHTR2C
SCHEMBL19699063 0.92 HTR2A (0.44) PIM3PIM2ALDH1A1MAPTHTR2C
SCHEMBL19706085 0.92 HTR2A (0.42) PIM3PIM2ALDH1A1MAPTHTR2C
SCHEMBL17618630 0.92 TSHR (0.45) PIM3PIM2ALDH1A1MAPTHTR2C
SCHEMBL19699052 0.92 HTR2A (0.44) PIM3PIM2ALDH1A1MAPTHTR2C
SCHEMBL17618719 0.91 ALDH1A1 (0.42) PIM3PIM2ALDH1A1MAPTHTR2C
SCHEMBL17618674 0.90 PIM2 (0.43) PIM3PIM2ALDH1A1MAPTHTR2C
SCHEMBL17624590 0.89 HTR2C (0.47) ALDH1A1MAPTHTR2CHTR2AFAAH
SCHEMBL17618622 0.89 HTR2C (0.45) PIM3PIM2ALDH1A1MAPTHTR2C
SCHEMBL19365515 0.89 HTR2C (0.47) ALDH1A1MAPTHTR2CHTR2AFAAH

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 PIM3 3869/4885PIM2 3491/4885ALDH1A1 1910/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM3 3489/4885PIM2 3242/4885ALDH1A1 1726/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM3 3489/4885PIM2 3242/4885ALDH1A1 1726/4885

“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.

Send feedback