SCHEMBL21089736

SCHEMBL21089736

CC1(C)Cn2c(nc3cc(Br)ccc3c2=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.40
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP3 P42574 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1B1 Q16678 2/20 0.34
NPC1 O15118 1/20 0.34
CRHBP P24387 1/20 0.34
RAB9A P51151 1/20 0.34
CRHR2 Q13324 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK10 P53779 1/20 0.33
USP2 O75604 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL6920734 0.85 ALDH1A1 (0.39) CACNA2D1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21090182 0.82 ELANE (0.44) ALDH1A1KDM4EHPGDHSD17B10HRH4
SCHEMBL22699603 0.82 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10CYP1A1
SCHEMBL6921580 0.80 RAB9A (0.39) CACNA2D1ALDH1A1KDM4EHSD17B10CASP3
SCHEMBL22686118 0.76 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6922851 0.75 RAB9A (0.41) CACNA2D1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6920642 0.74 RAB9A (0.43) CACNA2D1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2053715 0.73 RAB9A (0.44) CACNA2D1ALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL6921612 0.72 CACNA2D1 (0.38) CACNA2D1ALDH1A1CASP3HRH4CYP1A1
SCHEMBL15818032 0.72 KMT2A (0.39) CACNA2D1CASP3HRH4CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369667-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. 2020-11-26 US disclosed
WO-2019112719-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2019-06-13 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-20200369667-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 CACNA2D1 4627/4885ALDH1A1 4188/4885KDM4E 47/4885

“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.