SCHEMBL17618692

SCHEMBL17618692

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)[C@H]2CCCN3C2)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 3/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ PIK3CA P42336 4/20 0.35
▸ MTOR P42345 4/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PORCN Q9H237 1/20 0.35
▸ FAAH O00519 2/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ KIT P10721 2/20 0.33

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
SCHEMBL17618675 0.90 PIM3 (0.46) PIM2PIM3PIK3CAMTORFAAH
SCHEMBL16754401 0.89 GRM5 (0.37) PIM2PIM3FAAHABL1KDM4E
SCHEMBL17778228 0.89 GRM5 (0.37) PIM2PIM3FAAHABL1KDM4E
SCHEMBL17618682 0.89 GSK3B (0.39) PIM2PIM3PIK3CAMTORCYP3A4
SCHEMBL17618730 0.89 LRRK2 (0.36) PIM2PIM3FAAHRPS6KB1AKT1
SCHEMBL17618721 0.87 PIM1 (0.40) PIM2PIM3ABL1ROCK2ROCK1
SCHEMBL17618684 0.87 FAAH (0.41) CYP3A4PORCNFAAH
SCHEMBL17618685 0.86 WNT3A (0.36) FAAHABL1
SCHEMBL17618719 0.86 ALDH1A1 (0.42) PIM2PIM3PIK3CAMTORPIM1
SCHEMBL17618693 0.85 FGFR4 (0.40) PIK3CAMTORCYP3A4FAAHABL1

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 PIM2 3491/4885PIM3 3869/4885PIK3CA 4235/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM3 3489/4885PIK3CA 3691/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM3 3489/4885PIK3CA 3691/4885

“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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