SCHEMBL18985437

SCHEMBL18985437

Brc1cc(NCC2CC2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.56
GPR39 O43194 3/20 0.54
CHEK1 O14757 2/20 0.41
CHEK2 O96017 1/20 0.41
S1PR1 P21453 1/20 0.41
ABL1 P00519 1/20 0.35
IDH1 O75874 1/20 0.35
EGLN2 Q96KS0 2/20 0.34
PTGER4 P35408 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
HRH2 P25021 1/20 0.34
MAP4K4 O95819 1/20 0.33

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
SCHEMBL2580117 0.79 HRH4 (0.56) HRH4GPR39CHEK1CHEK2S1PR1
SCHEMBL10187127 0.79 HRH4 (0.56) HRH4GPR39CHEK1CHEK2S1PR1
SCHEMBL1774600 0.76 HRH4 (0.66) HRH4GPR39CHEK1CHEK2S1PR1
SCHEMBL1774715 0.75 HRH4 (0.68) HRH4GPR39CHEK1CHEK2S1PR1
SCHEMBL1775555 0.72 HRH4 (0.65) HRH4GPR39HRH3HRH2
SCHEMBL1774003 0.72 HRH4 (1.00) HRH4GPR39CHEK1CHEK2HRH3
SCHEMBL793117 0.71 HRH4 (0.49) HRH4GPR39EGLN2HRH3HRH2
SCHEMBL18636733 0.70 HRH4 (0.48) HRH4GPR39CHEK1CHEK2HRH3
SCHEMBL1775075 0.69 HRH4 (0.62) HRH4GPR39CHEK1CHEK2HRH3
SCHEMBL5353908 0.69 CHEK1 (0.54) HRH4GPR39CHEK1CHEK2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
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
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 EP disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO 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 HRH4 50/4885GPR39 3079/4885CHEK1 261/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 HRH4 50/4885GPR39 3079/4885CHEK1 261/4885

“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.