SCHEMBL19252592

SCHEMBL19252592

CCC(C)(C)c1cncc(-c2cncnc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.39
CYP11B2 P19099 1/20 0.34
ATM Q13315 2/20 0.33
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CYP2A6 P11509 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL12523344 0.82 CYP19A1 (0.47) CYP19A1ATMNPC1LMNAMAPK1
SCHEMBL12458881 0.80 CYP19A1 (0.38) CYP19A1CYP11B2ATMCHRNB1CHRNB2
SCHEMBL13611668 0.79 ATM (0.43) CYP19A1ATMCYP2A6NPC1LMNA
SCHEMBL19274406 0.76 GABRA1 (0.34) CYP19A1ATMNPC1LMNAMAPK1
SCHEMBL12525141 0.75 HCAR2 (0.35) CYP19A1CYP11B2ATMCYP2A6NPC1
SCHEMBL22752591 0.74 CHRNB1 (0.42) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL20993134 0.73 CYP11B2 (0.36) CYP11B2
SCHEMBL22004473 0.73 POLB (0.38) CYP11B2ATMNPC1LMNAMAPK1
SCHEMBL10092876 0.73 NOS3 (0.34) CYP19A1ATMCHRNB2NPC1LMNA
SCHEMBL19558831 0.73 NPC1 (0.42) CYP19A1ATMNPC1LMNAMAPK1

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-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B CYP19A1 231/4885CYP11B2 396/4885ATM 2226/4885

“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.