SCHEMBL10193509

SCHEMBL10193509

Cc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(CC3CC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 1/20 0.37
AKR1C3 P42330 1/20 0.34
CDK1 P06493 3/20 0.34
CDK2 P24941 3/20 0.34
CDK4 P11802 2/20 0.34
PADI4 Q9UM07 2/20 0.33
SLC6A4 P31645 2/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR1F P30939 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR5A P47898 1/20 0.33
HTR6 P50406 1/20 0.33
HTR4 Q13639 1/20 0.33
TP53 P04637 2/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL14466447 0.90 ESR1 (0.36) PDE1CAKR1C3CDK1CDK2CDK4
SCHEMBL981834 0.89 LMNA (0.39) AKR1C3PADI4TP53CNR1
SCHEMBL10193431 0.89 USP14 (0.36) AKR1C3CDK1CDK2CDK4SLC6A4
SCHEMBL12995928 0.87 BRD4 (0.39)
SCHEMBL10095826 0.85 NSD2 (0.32) PADI4F10
SCHEMBL10096625 0.84 PTK2 (0.34) AKR1C3SLC6A4ADRB2HTR1ADRD2
SCHEMBL12106336 0.81 GRM2 (0.34) AKR1C3SLC6A4ADRB2HTR1ADRD2
SCHEMBL979548 0.79 PDE4A (0.35) AKR1C3
SCHEMBL981670 0.79 ESR1 (0.37) CDK1CDK2CDK4TP53CCNC
SCHEMBL10096337 0.79 CHEK1 (0.36) AKR1C3CDK1CDK2CDK4SLC6A4

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS PDE1C 4431/4885AKR1C3 374/4885CDK1 3168/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PDE1C 3789/4885AKR1C3 349/4885CDK1 2548/4885

“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.