SCHEMBL19615258

SCHEMBL19615258

Cn1nc(C(=O)O)c(Br)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
GLA P06280 1/20 0.33
PKM P14618 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
POLB P06746 3/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR35 Q9HC97 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 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
SCHEMBL17542481 0.81 MAPT (0.39) KDM4EGLAPKMMEN1KMT2A
SCHEMBL3140977 0.73 RAB9A (0.49) KDM4EMEN1KMT2AAPOBEC3ACTDSP1
SCHEMBL22401888 0.71 PKM (0.49) CACNA1GCACNA1HCACNA1IPKMMEN1
SCHEMBL13715651 0.71 SMN1; SMN2 (0.37) KDM4EMAPTSMN1; SMN2
SCHEMBL31612964 0.69 IKBKB (0.32) POLB
SCHEMBL19635907 0.69 IDO1 (0.33)
SCHEMBL4203158 0.69 KDM4E (0.41) KDM4EPKMMEN1KMT2AGRN
SCHEMBL22436736 0.69 HCAR2 (0.37) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL28015263 0.69 POLB (0.39) KDM4EGLAPKMGRNSORT1
SCHEMBL17894319 0.68 CCNA2 (0.35) KDM4EPKMMEN1KMT2A

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-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 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-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 KDM4E 1858/4885CACNA1G 4066/4885CACNA1H 4114/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 KDM4E 2044/4885CACNA1G 4140/4885CACNA1H 4259/4885

“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.