SCHEMBL19106943

SCHEMBL19106943

Cc1ccc(CNC2CCN(CCn3c(=O)cnc4ccc(F)cc43)CC2)cc1C#N

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.72
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
KCNQ1 P51787 1/20 0.44
CACNA1C Q13936 1/20 0.44

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
SCHEMBL19106951 0.90 KCNH2 (0.74) KCNH2CYP3A4CYP2D6KCNQ1CACNA1C
SCHEMBL2800549 0.89 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2798636 0.88 KCNH2 (0.60) KCNH2KCNQ1CACNA1C
SCHEMBL19106929 0.85 KCNH2 (0.61) KCNH2
SCHEMBL3664206 0.85 KCNH2 (0.79) KCNH2
SCHEMBL19106937 0.85 KCNH2 (0.56) KCNH2KCNQ1CACNA1C
SCHEMBL2799639 0.85 KCNH2 (0.61) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2796670 0.84 KCNH2 (0.60) KCNH2KCNQ1CACNA1C
SCHEMBL19106950 0.83 KCNH2 (0.66) KCNH2
SCHEMBL3963037 0.83 KCNH2 (0.71) KCNH2

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-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 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-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 KCNH2 4625/4885CYP3A4 1533/4885CYP2D6 808/4885

“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.