SCHEMBL5384649

SCHEMBL5384649

Cc1ccc(CSc2nc(Nc3ccc(F)cc3)n[nH]2)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.40
KCNH3 Q9ULD8 9/20 0.36
ADORA2A P29274 1/20 0.36
METAP2 P50579 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AURKA O14965 1/20 0.34
STK17A Q9UEE5 1/20 0.34
CDK4 P11802 1/20 0.34

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
SCHEMBL5387637 0.91 METAP2 (0.43) METAP2MEN1NPC1LMNAMAPT
SCHEMBL5372105 0.88 SMN1; SMN2 (0.43) CDK2METAP2MEN1NPC1LMNA
SCHEMBL5385659 0.86 KCNH3 (0.36) CDK2KCNH3ADORA2AMEN1NPC1
SCHEMBL5373526 0.86 PDE4B (0.42) CDK2KCNH3ADORA2AMEN1NPC1
SCHEMBL5377014 0.82 NFKB1 (0.40) CDK2KCNH3MEN1NPC1LMNA
SCHEMBL7087741 0.81 CDK2 (0.43) CDK2KCNH3MEN1NPC1LMNA
SCHEMBL5385647 0.79 METAP2 (0.42) ADORA2AMETAP2MEN1NPC1LMNA
SCHEMBL5380332 0.79 METAP2 (0.42) ADORA2AMETAP2MEN1NPC1LMNA
SCHEMBL5381901 0.79 METAP2 (0.42) METAP2NPC1LMNAMAPTRAB9A
SCHEMBL5382969 0.78 SYK (0.39) CDK2KCNH3ADORA2AMETAP2MEN1

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-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP CDK2 837/4885KCNH3 4520/4885ADORA2A 2880/4885

“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.