SCHEMBL19004965

SCHEMBL19004965

COc1cc(-c2ccc(N)c(NO)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.42
BACE1 P56817 1/20 0.41
CNR1 P21554 1/20 0.41
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ATR Q13535 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
AAK1 Q2M2I8 4/20 0.39
HDAC2 Q92769 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR1 P21453 1/20 0.38
MAPK10 P53779 1/20 0.38
CYP19A1 P11511 1/20 0.38
NR4A2 P43354 1/20 0.37
DHODH Q02127 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL18985642 0.81 TDP1 (0.50) DYRK1ABACE1LOXLOXL2SLC13A5
SCHEMBL12491503 0.77 CYP3A4 (0.53) DYRK1ABACE1CNR1LOXLOXL2
SCHEMBL24196194 0.77 KIT (0.47) DYRK1ABACE1LOXLOXL2AAK1
SCHEMBL16116782 0.77 LOX (0.55) DYRK1ACNR1LOXLOXL2SLC13A5
SCHEMBL1245940 0.77 CYP3A4 (0.48) HDAC2CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL30626327 0.77 LOX (0.55) DYRK1ACNR1LOXLOXL2SLC13A5
SCHEMBL22283952 0.73 HSD17B1 (0.49) DYRK1ACNR1LOXLOXL2SLC13A5
SCHEMBL13036116 0.72 DYRK1A (0.55) DYRK1ACNR1LOXLOXL2SLC13A5
SCHEMBL15728406 0.71 PDCD1 (0.46) DYRK1ACNR1CYP19A1
SCHEMBL18986105 0.71 TDP1 (0.61) DYRK1ABACE1CYP3A4ALDH1A1TSHR

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-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 DYRK1A 2393/4885BACE1 3353/4885CNR1 1514/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 DYRK1A 2393/4885BACE1 3353/4885CNR1 1514/4885

“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.