SCHEMBL16776482

SCHEMBL16776482

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cccnc2)[C@H]2CCCN3C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTR2C P28335 10/20 0.40
▸ HTR2A P28223 8/20 0.40
▸ BTK Q06187 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ WNT3A P56704 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.37
▸ PIM1 P11309 1/20 0.37

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
SCHEMBL19689778 0.95 HTR2C (0.41) ALDH1A1MAPTHTR2CHTR2AWNT3A
SCHEMBL17618706 0.95 HTR2C (0.41) ALDH1A1MAPTHTR2CHTR2AWNT3A
SCHEMBL17777142 0.92 GRM5 (0.39) ALDH1A1GRM5PIM3PIM2WNT3A
SCHEMBL16754368 0.92 GRM5 (0.39) ALDH1A1GRM5PIM3PIM2WNT3A
SCHEMBL17618719 0.91 ALDH1A1 (0.42) ALDH1A1MAPTHTR2CHTR2ABTK
SCHEMBL19699122 0.90 PRMT5 (0.38) ALDH1A1MAPTGRM5WNT3A
SCHEMBL19699063 0.89 HTR2A (0.44) ALDH1A1MAPTHTR2CHTR2ABTK
SCHEMBL19699052 0.89 HTR2A (0.44) ALDH1A1MAPTHTR2CHTR2ABTK
SCHEMBL17618673 0.89 PIM3 (0.47) ALDH1A1MAPTHTR2CHTR2ABTK
SCHEMBL16754551 0.89 ROCK2 (0.38) ALDH1A1GRM5PIM3PIM2WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1726/4885MAPT 267/4885HTR2C 4651/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885MAPT 290/4885HTR2C 4746/4885

“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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