SCHEMBL30037511

SCHEMBL30037511

CCc1c(N2CCNCC2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.48
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK9 P45984 4/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ SOS1 Q07889 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ BRAF P15056 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
SCHEMBL25036821 1.00 WRN (0.48) WRNMAPTALDH1A1KDM4EUSP2
SCHEMBL31387135 0.93 WRN (0.46) WRNMAPTALDH1A1TSHRMAPK9
Hydrochloric Acid SCHEMBL31387155 0.93 WRN (0.46) WRNMAPTALDH1A1TSHRMAPK9
SCHEMBL31384779 0.93 WRN (0.54) WRNMAPTALDH1A1KDM4EUSP2
Hydrochloric Acid SCHEMBL31270598 0.92 WRN (0.53) WRNMAPTALDH1A1KDM4EUSP2
SCHEMBL30039076 0.90 WRN (0.47) WRNMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL25037179 0.90 WRN (0.47) WRNMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL31394362 0.90 WRN (0.47) WRNMAPTALDH1A1KDM4EUSP2
SCHEMBL31387245 0.89 WRN (0.41) WRNMAPTKDM4ECYP1A2CYP3A4
SCHEMBL25037298 0.88 WRN (0.49) WRNMAPTALDH1A1KDM4ETSHR

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-20240360118-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2024-10-31 — — US disclosed
EP-4347596-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) Novartis AG (CH) 2024-04-10 — — EP disclosed
WO-2022249060-A1 TRIAZOLO-PYRIMIDINE ANALOGUES FOR TREATING DISEASES CONNECTED TO THE INHIBITON OF WERNER SYNDROME RECQ HELICASE (WRN) NOVARTIS AG (CH) 2022-12-01 — — 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-20240360118-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 WRN 1829/4885MAPT 2519/4885ALDH1A1 2542/4885

“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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