SCHEMBL13061999

SCHEMBL13061999

CCCc1ccc(C#N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ACACB O00763 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
NFKB1 P19838 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL10465159 0.89 L3MBTL1 (0.50) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL9440059 0.86 HSD17B10 (0.53) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL10992065 0.86 HSD17B10 (0.53) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL2760434 0.84 CYP2A6 (0.48) RAB9ASMN1; SMN2NPC1HSD17B10ACACB
SCHEMBL22738772 0.81 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1TP53PKM
SCHEMBL5871776 0.81 AR (0.39) ACACBTDP1BRD4GRM2FFAR1
SCHEMBL3051067 0.81 CHRNA7 (0.41) L3MBTL1ALDH1A1KDM4EKMT2ACYP1A2
SCHEMBL5871891 0.81 GRM2 (0.42) ACACBALDH1A1MAPTKDM4EGAA
SCHEMBL30404220 0.80 GRM2 (0.38) ACACBBRD4GRM2FFAR1FFAR4
SCHEMBL10390335 0.79 FFAR1 (0.45) ALDH1A1GAAGRM2FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 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 (4 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 RAB9A 2507/4885SMN1; SMN2 301/4885NPC1 4838/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP RAB9A 1576/4885SMN1; SMN2 1711/4885NPC1 1389/4885
US-20100323887-A1 MESOIONIC PESTICIDES DDT, CHRM1, CHRM3 RAB9A 888/4885SMN1; SMN2 1705/4885NPC1 3812/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP RAB9A 1576/4885SMN1; SMN2 1711/4885NPC1 1389/4885

“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.