SCHEMBL10095346

SCHEMBL10095346

N#Cc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.56
IMPDH1 P20839 1/20 0.56
GPR84 Q9NQS5 2/20 0.53
CHEK1 O14757 1/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
HASPIN Q8TF76 1/20 0.46
DYRK1A Q13627 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SRC P12931 1/20 0.45
NR4A2 P43354 1/20 0.44
MCL1 Q07820 1/20 0.42
CYP2A6 P11509 1/20 0.42
SLC6A4 P31645 1/20 0.42
PSMB8 P28062 1/20 0.41
IDO1 P14902 2/20 0.40

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
SCHEMBL31102359 0.86 CHEK1 (0.49) IMPDH2IMPDH1GPR84CHEK1CCNT1
SCHEMBL27708724 0.85 IMPDH2 (0.56) IMPDH2IMPDH1GPR84CHEK1CCNT1
SCHEMBL27727436 0.81 GPR84 (0.53) GPR84DYRK1AALDH1A1NR4A2SLC6A4
SCHEMBL28903106 0.79 EGFR (0.46) IMPDH2IMPDH1GPR84DYRK1AALDH1A1
SCHEMBL30665808 0.78 IMPDH2 (0.56) IMPDH2IMPDH1GPR84CHEK1CCNT1
SCHEMBL394651 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL187169 0.78 IMPDH2 (0.56) IMPDH2IMPDH1GPR84CCNT1CDK9
SCHEMBL13181942 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL28774173 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL6600237 0.78 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
CN-101219986-B 3-cyanogen radical indole compounds and its synthetic method SHANGHAI CHEMPARTNER CO LTD 2011-08-10 CN disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
CN-101219986-A 3-cyanogen radical indole compounds and its synthetic method SHANGHAI CHEMPARTNER CO LTD (CN) 2008-07-16 CN disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (3 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 IMPDH2 250/4885IMPDH1 241/4885GPR84 3055/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS IMPDH2 477/4885IMPDH1 519/4885GPR84 2689/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP IMPDH2 1869/4885IMPDH1 1621/4885GPR84 1709/4885

“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.