SCHEMBL2020753

SCHEMBL2020753

Cc1cc2ncc3c(Cl)ncnc3n2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.35
POLB P06746 2/20 0.35
PKM P14618 2/20 0.35
AURKA O14965 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PIK3CD O00329 1/20 0.31

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
SCHEMBL2024741 0.71 DGAT1 (0.35) AURKA
SCHEMBL11605005 0.70 NPC1 (0.38) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL239150 0.69 AURKA (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11595159 0.68 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL235505 0.68 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3425282 0.66 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL235881 0.65 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL238571 0.65 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12203769 0.65 CYP1A2 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL238671 0.64 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 NPC1 37/4885RAB9A 571/4885SMN1; SMN2 3135/4885

“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.