SCHEMBL18985642

SCHEMBL18985642

COc1cc(-c2ccc(N)c(N)c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DYRK1A Q13627 4/20 0.49
LOX P28300 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACVR2A P27037 1/20 0.43
TGFBR2 P37173 1/20 0.43
AAK1 Q2M2I8 4/20 0.43
S1PR1 P21453 2/20 0.43
BACE1 P56817 1/20 0.43
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL12491503 0.85 CYP3A4 (0.53) TDP1DYRK1ALOXLOXL2CYP3A4
SCHEMBL24196194 0.85 KIT (0.47) TDP1MEN1KMT2ADYRK1ALOX
SCHEMBL30626327 0.84 LOX (0.55) DYRK1ALOXLOXL2ACVR2ATGFBR2
SCHEMBL16116782 0.84 LOX (0.55) DYRK1ALOXLOXL2ACVR2ATGFBR2
SCHEMBL19004965 0.81 DYRK1A (0.42) TDP1DYRK1ALOXLOXL2CYP3A4
SCHEMBL13036116 0.79 DYRK1A (0.55) DYRK1ALOXLOXL2ACVR2ATGFBR2
SCHEMBL18986105 0.79 TDP1 (0.61) TDP1MEN1KMT2ADYRK1ACYP3A4
SCHEMBL18985672 0.79 PIK3CA (0.56) TDP1MEN1KMT2ALOXL2CYP3A4
SCHEMBL20557310 0.77 MAP4K4 (0.49) MEN1KMT2ADYRK1ALOXLOXL2
SCHEMBL30469293 0.77 MAP4K4 (0.49) MEN1KMT2ADYRK1ALOXLOXL2

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 TDP1 1833/4885MEN1 1007/4885KMT2A 1401/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 TDP1 1833/4885MEN1 1007/4885KMT2A 1401/4885

“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.