SCHEMBL21572525

SCHEMBL21572525

Cc1cc(Oc2c(F)cccc2F)ncc1N(C)N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.31
MRGPRX1 Q96LB2 2/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
DHODH Q02127 2/20 0.31
ADRB3 P13945 1/20 0.30
ADRA1D P25100 1/20 0.30
SLC6A4 P31645 1/20 0.30
ABAT P80404 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
ORAI1 Q96D31 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXRB P28702 2/20 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
SCHEMBL21572612 0.86 MEN1 (0.51) MEN1KMT2AKEAP1MRGPRX1SMN1; SMN2
SCHEMBL20084783 0.81 GCK (0.46) GCKMEN1KMT2ADHODHADRB3
SCHEMBL18331768 0.80 MEN1 (0.42) GCKMEN1KMT2AKEAP1DHODH
SCHEMBL18330558 0.79 GCK (0.41) GCKMEN1KMT2AKEAP1ORAI1
SCHEMBL31221536 0.79 GCK (0.41) GCKMEN1KMT2AKEAP1ORAI1
Hydrochloric Acid SCHEMBL31221545 0.78 GCK (0.40) GCKMEN1KMT2AKEAP1ORAI1
SCHEMBL18332197 0.77 GCK (0.45) GCKMEN1KMT2ADHODHADRB3
SCHEMBL20084464 0.75 GCK (0.43) GCKMEN1KMT2AORAI1SMN1; SMN2
SCHEMBL21971949 0.75 GCK (0.38) GCKMEN1KMT2ADHODHADRB3
SCHEMBL20084192 0.75 GCK (0.39) GCKRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 US 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 GCK 2426/4885MEN1 3006/4885KMT2A 1100/4885

“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.