SCHEMBL801861

SCHEMBL801861

Cc1nc(Nc2cc(-c3ccccc3C)nc3ccccc23)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
ACP1 P24666 5/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC2A1 P11166 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
TGFBR1 P36897 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
TACR3 P29371 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL801863 0.88 LATS1 (0.49) GSK3AGSK3BALDH1A1NPC1RAB9A
SCHEMBL12620467 0.86 ACP1 (0.60) GSK3AGSK3BACP1ALDH1A1MEN1
SCHEMBL802833 0.84 ACP1 (0.47) GSK3AGSK3BACP1ALDH1A1NPC1
SCHEMBL801844 0.82 GSK3A (0.48) GSK3AGSK3BACP1ALDH1A1NPC1
SCHEMBL802026 0.81 GSK3B (0.76) GSK3AGSK3BSLC2A1
SCHEMBL802192 0.77 GSK3A (0.75) GSK3AGSK3BALDH1A1SMN1; SMN2MEN1
SCHEMBL802320 0.75 GSK3B (0.55) GSK3AGSK3BACP1SLC2A1
SCHEMBL12620487 0.75 ACP1 (0.47) ACP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL23283896 0.72 CYP1A2 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL802444 0.71 GSK3B (0.70) GSK3AGSK3BALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3A 2/4885GSK3B 1/4885ACP1 601/4885

“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.