SCHEMBL8998916

SCHEMBL8998916

CCNC(=O)Nc1nc2cc(-c3ccc(OCCN4CCOCC4)nc3)cc(-c3ccccc3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.45
MAPK1 P28482 2/20 0.44
PIK3CA P42336 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CD274 Q9NZQ7 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
LYN P07948 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 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
SCHEMBL10046831 0.93 MAPK1 (0.44) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL8999151 0.92 PIK3CA (0.43) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL8998926 0.84 ATM (0.42) MAPK8ATMCD274
SCHEMBL8999320 0.84 PIK3CA (0.44) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL13788454 0.83 PIK3CA (0.41) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL8999285 0.82 ATM (0.43) PIK3CAMAPK8ATMCD274
SCHEMBL8999395 0.82 PIK3CA (0.42) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL8999489 0.80 ABL1 (0.44) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL10046872 0.80 PIK3CA (0.40) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL8998567 0.78 ABL1 (0.43) ABL1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188095-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188095-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 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-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B ABL1 460/4885MAPK1 3610/4885PIK3CA 472/4885

“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.