SCHEMBL801844

SCHEMBL801844

Cc1ccccc1-c1cc(Nc2nc[nH]n2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
ACP1 P24666 7/20 0.46
TACR3 P29371 1/20 0.43
SLC2A1 P11166 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
TGFBR1 P36897 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 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
SCHEMBL5254869 0.86 ACP1 (0.46) GSK3AGSK3BACP1TACR3HTT
SCHEMBL786653 0.84 ACP1 (0.61) GSK3AGSK3BACP1MEN1KMT2A
SCHEMBL786413 0.84 GSK3A (0.60) GSK3AGSK3BACP1SLC2A1ABCB1
SCHEMBL801861 0.82 GSK3A (0.50) GSK3AGSK3BACP1TACR3SLC2A1
SCHEMBL802026 0.80 GSK3B (0.76) GSK3AGSK3BSLC2A1
SCHEMBL802849 0.80 ALDH1A1 (0.36) GSK3AGSK3BTACR3KDM4EALDH1A1
SCHEMBL802278 0.78 CCNA2 (0.40) ACP1KDM4EALDH1A1HPGDNPC1
SCHEMBL802833 0.77 ACP1 (0.47) GSK3AGSK3BACP1TACR3SLC2A1
SCHEMBL802508 0.72 PDE4A (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL802320 0.72 GSK3B (0.55) GSK3AGSK3BACP1SLC2A1

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.