SCHEMBL8226480

SCHEMBL8226480

CCc1nc(-c2ccc(F)c(C(C)C)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.46
▸ ACACA Q13085 2/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPK1 P28482 2/20 0.42
▸ NPY2R P49146 1/20 0.41
▸ SCN5A Q14524 2/20 0.40
▸ SCN10A Q9Y5Y9 2/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ NOTUM Q6P988 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL8415601 0.85 SIRT2 (0.48) NPC1RAB9ASMN1; SMN2HTTMAPK1
SCHEMBL8221251 0.85 MAPK1 (0.57) NPC1RAB9ASMN1; SMN2HTTMAPK1
SCHEMBL8221319 0.81 L3MBTL1 (0.54) NPC1RAB9ASMN1; SMN2S1PR1LMNA
SCHEMBL8415707 0.81 FFAR1 (0.53) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL8282776 0.80 ACACB (0.48) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL12021945 0.80 ACACB (0.48) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL10022385 0.76 ACACB (0.56) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL8221535 0.76 ABCB1 (0.44) —
SCHEMBL26232436 0.76 NPC1 (0.73) ACACBACACANPC1RAB9ASMN1; SMN2
SCHEMBL12168972 0.74 RAB9A (0.47) ACACBACACANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 — — US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 — — 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 (1 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ACACB 4611/4885ACACA 4365/4885NPC1 2293/4885

“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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