SCHEMBL5075903

SCHEMBL5075903

CCNC(=O)Nc1nc2cc(-c3ccccc3)ccc2[nH]1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.82

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
SCHEMBL14097557 0.90 ABL1 (0.67) ABL1
SCHEMBL14097614 0.89 ABL1 (0.84) ABL1
SCHEMBL14097547 0.88 ABL1 (0.86) ABL1
SCHEMBL14097584 0.87 ABL1 (0.64) ABL1
SCHEMBL14097626 0.86 ABL1 (0.67) ABL1
SCHEMBL14097507 0.85 ABL1 (0.61) ABL1
SCHEMBL14097401 0.85 ABL1 (0.61) ABL1
SCHEMBL14097588 0.85 ABL1 (0.61) ABL1
SCHEMBL14097497 0.84 ABL1 (0.60) ABL1
SCHEMBL14097395 0.84 ABL1 (0.62) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414046-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-19 US disclosed
US-7414046-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-19 US disclosed
US-7414046-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-19 US disclosed
US-RE40245-E1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-RE40245-E1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-RE40245-E1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
EP-1341769-B1 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2007-10-17 EP disclosed
EP-1341769-B1 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2007-10-17 EP disclosed
US-20040043989-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-03-04 US disclosed
US-6632809-B2 Bactericides VERTEX PHARMACEUTICALS INCORPORATED 2003-10-14 US disclosed
EP-1341769-A2 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-10 EP disclosed
US-20030119868-A1 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-06-26 US disclosed
WO-2002060879-A2 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-08 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 (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-20030119868-A1 Gyrase inhibitors and uses thereof TOP1, NQO2, FEN1 ABL1 1496/4885
US-20040043989-A1 Gyrase inhibitors and uses thereof TOP1, NQO2, FEN1 ABL1 1496/4885

“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.