SCHEMBL17618715

SCHEMBL17618715

Cc1ccncc1-c1ccc2c(n1)N(C(=O)Nc1cncc(F)c1)[C@H]1CCCN2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PIM2 Q9P1W9 4/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ CDC42BPB Q9Y5S2 2/20 0.36
▸ ABL1 P00519 7/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ MAP4K1 Q92918 2/20 0.36
▸ ATR Q13535 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
SCHEMBL17618726 0.89 ALDH1A1 (0.42) HTR2CHTR2APIM2ABL1PIM1
SCHEMBL16754551 0.87 ROCK2 (0.38) PIM2ROCK2ROCK1CDC42BPBPIM3
SCHEMBL17618674 0.86 PIM2 (0.43) HTR2CCYP1A2HTR2BHTR2APIM2
SCHEMBL17618718 0.85 PRMT5 (0.36) HTR2CHTR2BHTR2APIM2ROCK2
SCHEMBL17618691 0.85 ABL1 (0.38) PIM2ABL1
SCHEMBL17618722 0.84 PIM1 (0.40) PIM2ROCK2ROCK1CDC42BPBABL1
SCHEMBL17618721 0.83 PIM1 (0.40) PIM2ROCK2ROCK1CDC42BPBABL1
SCHEMBL17618658 0.83 PIM2 (0.37) HTR2CHTR2APIM2PIM1PIM3
SCHEMBL19365348 0.82 PIM2 (0.34) HTR2CHTR2BHTR2APIM2ROCK2
SCHEMBL17618710 0.82 PIM2 (0.40) PIM2ABL1PIM1PIM3MAP4K1

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 HTR2C 4649/4885CYP1A2 3430/4885HTR2B 4076/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4651/4885CYP1A2 3492/4885HTR2B 4224/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HTR2C 4651/4885CYP1A2 3492/4885HTR2B 4224/4885

“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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