SCHEMBL25035228

SCHEMBL25035228

Cc1c(N2CCNCC2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ AKR1B1 P15121 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CETP P11597 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 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
SCHEMBL30039096 0.91 MAPT (0.43) KDM4EMCHR1LMNATP53FPR1
SCHEMBL31387245 0.90 WRN (0.41) KDM4EAKR1B1MAPKAPK2BRAFMCHR1
SCHEMBL31005804 0.89 KDM4E (0.39) KDM4EAKR1B1LMNAFPR2CA1
SCHEMBL31499688 0.87 WRN (0.46) KDM4ELMNAMAPTMEN1POLB
SCHEMBL25036710 0.86 MAPT (0.47) KDM4ELMNAMAPTCETPMEN1
SCHEMBL25037211 0.83 WRN (0.52) KDM4EAKR1B1MAPKAPK2BRAFMCHR1
SCHEMBL30038932 0.81 MAPT (0.41) KDM4ELMNATP53MAPTCETP
SCHEMBL25036821 0.81 WRN (0.48) KDM4EAKR1B1BRAFTP53MAPT
SCHEMBL30037511 0.81 WRN (0.48) KDM4EAKR1B1BRAFTP53MAPT
SCHEMBL25035198 0.81 TRPV1 (0.40) KDM4ELMNATP53MAPTKMT2A

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 4 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
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 — — US 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 (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-20240360118-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 KDM4E 1587/4885AKR1B1 685/4885MAPKAPK2 4230/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 KDM4E 1587/4885AKR1B1 685/4885MAPKAPK2 4230/4885

“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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