SCHEMBL21436086

SCHEMBL21436086

CC(C)Oc1ccc(-c2cnc3nccn3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.59
BMPR1B O00238 1/20 0.43
ACVR1B P36896 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
MAP4K4 O95819 1/20 0.41
GRM5 P41594 5/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
WDR5 P61964 1/20 0.36
FDPS P14324 2/20 0.36

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
SCHEMBL24460393 0.79 DYRK1A (0.59) DYRK1ACYP1A2WDR5FDPS
SCHEMBL20208549 0.77 DYRK1A (0.59) DYRK1AGRM5KDM4ENPC1ALDH1A1
SCHEMBL22032849 0.77 RAB9A (0.41) BMPR1BACVR1BACVRL1ACVR1MAP4K4
SCHEMBL19781270 0.77 CHEK1 (0.48) BMPR1BACVR1BACVRL1ACVR1MAP4K4
SCHEMBL22130319 0.75 DYRK1A (0.70) DYRK1AACVR1MAP4K4GRM5KDM4E
SCHEMBL360651 0.75 DYRK1A (0.74) DYRK1AACVR1MAP4K4GRM5KDM4E
SCHEMBL12403385 0.75 DYRK1A (0.64) DYRK1ACYP1A2KDM4EALDH1A1GLA
SCHEMBL19781581 0.74 MAP4K4 (0.41) DYRK1ABMPR1BACVR1BACVRL1ACVR1
SCHEMBL19781540 0.73 CYP1A2 (0.54) DYRK1ABMPR1BACVR1BACVRL1ACVR1
SCHEMBL16965410 0.72 FDPS (0.42) DYRK1AMAP4K4CYP1A2WDR5FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2022-09-08 US disclosed
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-10 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 (3 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-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION C9, C1S, ZC3HAV1 DYRK1A 4652/4885BMPR1B 3737/4885ACVR1B 2943/4885
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S DYRK1A 4561/4885BMPR1B 3611/4885ACVR1B 2969/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S DYRK1A 4561/4885BMPR1B 3611/4885ACVR1B 2969/4885

“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.