SCHEMBL19251052

SCHEMBL19251052

CCCCCCCC(C)(CCCCCC)Oc1cnc(N)nc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 6/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL22752635 1.00 DHFR (0.35) DHFRPKMTSHRCNR1CNR2
SCHEMBL19252971 1.00 DHFR (0.35) DHFRPKMTSHRCNR1CNR2
SCHEMBL22778534 1.00 DHFR (0.35) DHFRPKMTSHRCNR1CNR2
SCHEMBL19251374 0.85 CNR2 (0.33) TSHRCNR1CNR2KDM4E
SCHEMBL22752366 0.85 CNR2 (0.33) TSHRCNR1CNR2KDM4E
SCHEMBL22778499 0.85 CNR2 (0.33) TSHRCNR1CNR2KDM4E
SCHEMBL19251172 0.84 CNR2 (0.32) TSHRCNR1CNR2KDM4E
SCHEMBL19251313 0.83 CNR2 (0.31) CNR1CNR2
SCHEMBL19184855 0.83 KDM4E (0.37) TSHRCNR1CNR2KDM4ENPC1
SCHEMBL22752329 0.83 CNR2 (0.32) CNR1CNR2

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-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 (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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B DHFR 51/4885PKM 1502/4885TSHR 4555/4885

“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.

Send feedback