Sugi Predict

Sugi Predict / Compounds / SCHEMBL586707

SCHEMBL586707

SCHEMBL586707

Cc1cnc2c(C#N)c[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.41
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ HASPIN Q8TF76 1/20 0.38
▸ CCR1 P32246 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ IMPDH2 P12268 2/20 0.37
▸ IMPDH1 P20839 1/20 0.37
▸ LRRK2 Q5S007 7/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ CDC42BPA Q5VT25 2/20 0.33
▸ CDC42BPB Q9Y5S2 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL16035959 0.79 DYRK1A (0.41) BRD4CCNT1CDK9HASPINIMPDH2
SCHEMBL7922678 0.76 CCR1 (0.43) BRD4CCR1CCR5CCR8
SCHEMBL30186064 0.76 SMN1; SMN2 (0.40) BRD4CCNT1CDK9HASPINIMPDH2
SCHEMBL16153774 0.73 BRD4 (0.78) BRD4
SCHEMBL15942809 0.73 CCR1 (0.41) BRD4CCR1CCR5CCR8
SCHEMBL13199611 0.72 LRRK2 (0.51) CCNT1CDK9HASPINIMPDH2IMPDH1
SCHEMBL30723525 0.72 RET (0.42) BRD4LRRK2
SCHEMBL4325438 0.71 CCNT1 (0.40) CCNT1CDK9HASPINIMPDH2IMPDH1
Hydrochloric Acid SCHEMBL5047877 0.70 CCNT1 (0.39) CCNT1CDK9HASPINIMPDH2IMPDH1
SCHEMBL10569838 0.69 HSP90AB1 (0.39) CCNT1CDK9HASPINIMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 — — US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 — — US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 — — US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 — — US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 — — US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 — — US disclosed
EP-2417133-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 — — EP disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 — — WO 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 BRD4 641/4885CCNT1 707/4885CDK9 359/4885

“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.