SCHEMBL10147747

SCHEMBL10147747

Cc1ncc(-c2ccc3cc(C(C)C)ccc3c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.41
UGT2B7 P16662 1/20 0.38
SGK1 O00141 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CYP11B2 P19099 4/20 0.36
CYP11B1 P15538 3/20 0.36
LMNA P02545 1/20 0.36
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 0.35
ATP1A2 P50993 1/20 0.35
ATP1B3 P54709 1/20 0.35
FXYD2 P54710 1/20 0.35
ATP1A4 Q13733 1/20 0.35
ABL1 P00519 3/20 0.35
TRPA1 O75762 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
SCHEMBL888947 0.86 FTO (0.41) FTOUGT2B7SGK1CYP11B2CYP11B1
SCHEMBL2616807 0.82 CYP11B1 (0.52) FTOCYP11B2CYP11B1LMNACYP17A1
SCHEMBL888940 0.81 CYP11B2 (0.38) FTOUGT2B7SGK1CYP11B2CYP11B1
SCHEMBL11994377 0.81 HDAC3 (0.42) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL26793092 0.81 CYP11B2 (0.43) UGT2B7CYP11B2CYP11B1ABL1CYP17A1
SCHEMBL890113 0.78 CYP1A2 (0.52) FTOGSK3BDYRK1APRMT5WDR77
SCHEMBL22453895 0.76 PRKCZ (0.62) GSK3BCYP11B2CYP11B1ABL1CYP17A1
SCHEMBL12810024 0.76 GSK3B (0.41) UGT2B7GSK3BDYRK1AKDM4EMEN1
SCHEMBL30177505 0.75 ESR1 (0.45) UGT2B7LMNATRPA1PTGS1CACNA1C
SCHEMBL28941796 0.75 ESR1 (0.45) UGT2B7LMNATRPA1PTGS1CACNA1C

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-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (2 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-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 FTO 3436/4885UGT2B7 50/4885SGK1 3434/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 FTO 2637/4885UGT2B7 10/4885SGK1 4057/4885

“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.