SCHEMBL6479624

SCHEMBL6479624

Cc1cccc(C)c1C(=O)n1c(C)cc2cc(N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.43
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38
LIMK1 P53667 1/20 0.38
IKBKE Q14164 1/20 0.38
MAPK14 Q16539 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ANPEP P15144 1/20 0.35
DPP4 P27487 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL6480163 0.86 AKR1C3 (0.44) BRPF1AKR1C3AKR1C2TUBB1CHEK1
SCHEMBL6489065 0.86 AKR1C3 (0.39) BRPF1AKR1C3AKR1C2TUBB1CHEK1
SCHEMBL6253573 0.86 BRPF1 (0.41) BRPF1AKR1C3AKR1C2TUBB1CHEK1
SCHEMBL6490788 0.84 TUBB1 (0.50) BRPF1AKR1C3AKR1C2TUBB1SMN1; SMN2
SCHEMBL6494742 0.81 AKR1C3 (0.40) AKR1C3AKR1C2NPC1POLB
SCHEMBL6490426 0.79 RORC (0.38) AKR1C3AKR1C2TUBB1
SCHEMBL6490943 0.79 CYP19A1 (0.43) SMN1; SMN2ALDH1A1TSHRPLAULMNA
SCHEMBL6749324 0.79 BRPF1 (0.46) BRPF1AKR1C3AKR1C2TUBB1CHEK1
SCHEMBL6229626 0.75 AKR1C3 (0.50) BRPF1AKR1C3AKR1C2TUBB1CHEK1
SCHEMBL1617658 0.75 BRPF1 (0.43) BRPF1AKR1C3AKR1C2TUBB1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215614-A1 Substituted indoles and their use as hcv inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-09-29 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-20050215614-A1 Substituted indoles and their use as hcv inhibitors IDO1, IDO2, HAVCR2 BRPF1 3594/4885AKR1C3 1399/4885AKR1C2 1501/4885

“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.