SCHEMBL27124750

SCHEMBL27124750

Cn1ccc(=O)n(Cc2cc3c(Cl)ncnn3c2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 6/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TNIK Q9UKE5 2/20 0.31
▸ CXCR3 P49682 5/20 0.31
▸ BRD4 O60885 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ KDM4A O75164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL27125769 0.81 HSD17B13 (0.35) PDE1BTNIK
SCHEMBL27126075 0.80 HSP90AA1 (0.32) BRD4KDM4EALDH1A1HTT
SCHEMBL27129979 0.75 PDE1B (0.34) PDE1BNPSR1
SCHEMBL30781119 0.73 SOS1 (0.37) —
SCHEMBL27128979 0.72 KMT2A (0.32) MAP4K4
Hydrochloric Acid SCHEMBL30781456 0.72 SOS1 (0.38) —
SCHEMBL30781283 0.71 USP7 (0.44) PDE1B
SCHEMBL30781268 0.71 USP7 (0.44) PDE1B
SCHEMBL30781258 0.71 KCNH2 (0.38) PDE1B
SCHEMBL30781299 0.71 USP7 (0.44) PDE1B

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-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 — — US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — WO disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — 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 (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-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 PDE1B 2058/4885HPGD 2822/4885TNIK 720/4885

“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.

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