SCHEMBL19252725

SCHEMBL19252725

CCC(C)(C)c1ccc2cncnc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.49
IMPDH2 P12268 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDO2 P48775 1/20 0.36
AR P10275 1/20 0.36
NOTUM Q6P988 1/20 0.36
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35
BAZ1A Q9NRL2 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL22778768 0.88 EGFR (0.46) EGFRIMPDH2TDO2ARNOTUM
SCHEMBL9922346 0.83 EGFR (0.55) EGFRIMPDH2TDO2ARNOTUM
SCHEMBL28128190 0.76 EGFR (0.55) EGFRTDO2CDK2AKT1
SCHEMBL14214637 0.75 ALDH1A1 (0.51) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL24759887 0.73 TRPV1 (0.43) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL10288868 0.73 TRPV1 (0.43) IMPDH2NPC1LMNAMAPK1CASP3
SCHEMBL12064494 0.73 EGFR (0.55) EGFRIMPDH2NPC1RAB9ASMN1; SMN2
SCHEMBL19010378 0.72 NPC1 (0.50) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL9968622 0.72 EGFR (0.54) EGFRIMPDH2TDO2ARNOTUM
SCHEMBL20441755 0.71 MAPK1 (0.37) NPC1LMNAMAPK1CASP3RAB9A

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 3 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-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 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 (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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B EGFR 3776/4885IMPDH2 160/4885NPC1 1885/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B EGFR 3639/4885IMPDH2 181/4885NPC1 1992/4885

“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.