SCHEMBL17618690

SCHEMBL17618690

Cc1nc(NC(=O)N2c3nc(-c4ccccc4C#N)ccc3N3CCC[C@H]2C3)sc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.33
▸ FPR1 P21462 2/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32

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
SCHEMBL19699082 0.84 PIM2 (0.35) PIM2FPR1FPR2LRRK2UCHL1
SCHEMBL17618713 0.83 ABL1 (0.44) PIK3CDPIK3CAACKR3NPC1RAB9A
SCHEMBL17618668 0.82 CHRM4 (0.36) PIM2LRRK2UCHL1
SCHEMBL17618683 0.82 PIK3CA (0.45) PIK3CDPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL17618660 0.81 HTR2C (0.43) PIM2
SCHEMBL17618651 0.81 FAAH (0.37) PIM2FPR1FPR2LRRK2UCHL1
SCHEMBL17618711 0.81 SMN1; SMN2 (0.38) PIK3CDPIK3CAACKR3NPC1RAB9A
SCHEMBL17618667 0.80 PIM2 (0.37) PIM2FPR1FPR2LRRK2UCHL1
SCHEMBL17618672 0.80 PIM2 (0.38) PIM2LRRK2UCHL1USP30
SCHEMBL17618480 0.80 LRRK2 (0.38) LRRK2ADORA2AADORA1JAK2JAK1

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — 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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3CD 3933/4885PIK3CA 4235/4885ACKR3 4278/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIK3CD 3327/4885PIK3CA 3691/4885ACKR3 3975/4885

“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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