SCHEMBL20489472

SCHEMBL20489472

CSc1nc2nc(C(F)(F)F)[nH]c(=O)c2s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
KDR P35968 1/20 0.36
PKM P14618 1/20 0.36
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL20489502 0.78 KDR (0.40) PIM1KDRCXCR1CXCR2SMN1; SMN2
SCHEMBL20489427 0.76 KDR (0.36) HCAR2KDRCXCR1CXCR2
SCHEMBL20489672 0.71 SMN1; SMN2 (0.45) HCAR2KDRPKMCXCR1CXCR2
SCHEMBL20489585 0.69 KDR (0.33) KDRCXCR1CXCR2SMN1; SMN2ALDH1A1
SCHEMBL20489530 0.67 ADORA1 (0.36) KDRALDH1A1
SCHEMBL4478360 0.67 ALDH1A1 (0.41) PIM1KDRSMN1; SMN2ALDH1A1HPGD
SCHEMBL21206723 0.67 KDR (0.39) KDRHPGD
SCHEMBL2443392 0.67 HCAR2 (0.42) PIM1HCAR2PKMKDM5AKDM4C
SCHEMBL18337280 0.67
SCHEMBL18336769 0.67 KDR (0.34) KDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 EP 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 PIM1 2583/4885HCAR2 1517/4885KDR 4701/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 PIM1 2537/4885HCAR2 1164/4885KDR 4681/4885

“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.