SCHEMBL17618687

SCHEMBL17618687

Cc1nc(NC(=O)N2c3nc(-c4cncc(F)c4)ccc3N3CCC[C@H]2C3)sc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.39
▸ SLC27A1 Q6PCB7 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CDC42BPB Q9Y5S2 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ PIK3CG P48736 3/20 0.34
▸ PIK3CD O00329 3/20 0.34
▸ PIK3CA P42336 3/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PORCN Q9H237 1/20 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
SCHEMBL17618712 0.92 HCRTR1 (0.35) ACKR3SLC27A1PIM2PIK3CGPIK3CD
SCHEMBL17618627 0.91 CRHR1 (0.35) ACKR3PIK3CGPIK3CDPIK3CAADORA2A
SCHEMBL16776290 0.90 SLC27A1 (0.38) ACKR3SLC27A1PIM1PIK3CGADORA2A
SCHEMBL17618650 0.90 ABL1 (0.35) ACKR3PIK3CGPIK3CDPIK3CAADORA2A
SCHEMBL17618683 0.88 PIK3CA (0.45) PIM1ROCK2ROCK1CDC42BPBPIM2
SCHEMBL17618711 0.85 SMN1; SMN2 (0.38) ACKR3PIK3CGPIK3CDPIK3CAADORA2A
SCHEMBL16754546 0.84 PIK3CD (0.38) ACKR3PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL17618718 0.83 PRMT5 (0.36) ROCK2ROCK1CDC42BPBPIM2DGAT2
SCHEMBL17618366 0.83 IDH2 (0.38) SMN1; SMN2TRPV1
SCHEMBL17618653 0.83 CYP3A4 (0.40) ROCK2ROCK1CDC42BPBPIM2DGAT2

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 ACKR3 4278/4885SLC27A1 1711/4885PIM1 3195/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ACKR3 3975/4885SLC27A1 1828/4885PIM1 2799/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ACKR3 3975/4885SLC27A1 1828/4885PIM1 2799/4885

“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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