SCHEMBL22968664

SCHEMBL22968664

N#Cc1cccc(Cc2cn[nH]c2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
ROCK2 O75116 10/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ROCK1 Q13464 1/20 0.43
MPO P05164 1/20 0.43
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
IDO1 P14902 1/20 0.41
DAO P14920 1/20 0.40
GLA P06280 1/20 0.40
IDH1 O75874 1/20 0.40

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
SCHEMBL29467167 1.00 HRH3 (0.55) HRH3ROCK2CYP4F2CYP4A11ROCK1
Hydrochloric Acid SCHEMBL29271375 0.98 HRH3 (0.54) HRH3ROCK2CYP4F2CYP4A11ROCK1
Hydrochloric Acid SCHEMBL30986706 0.98 HRH3 (0.54) HRH3ROCK2CYP4F2CYP4A11ROCK1
SCHEMBL2153847 0.81 HRH3 (0.59) HRH3MPOCYP19A1CYP11B1CYP11B2
SCHEMBL22968978 0.80 HRH3 (0.50) HRH3ROCK2CYP4F2CYP4A11ROCK1
SCHEMBL4196662 0.76 HRH3 (0.54) HRH3MPOCYP19A1CYP11B1CYP11B2
SCHEMBL22968793 0.76 ROCK2 (0.45) ROCK2MPOIDO1DAO
SCHEMBL22968985 0.76 PDE4B (0.52) ROCK2IDO1DAO
SCHEMBL22968941 0.76 PDE4B (0.52) ROCK2ROCK1IDO1DAO
SCHEMBL171388 0.74 HRH3 (0.57) HRH3CYP19A1CYP11B1CYP11B2

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
CN-114206861-A Fused heteroaryl compounds useful as RIPK1 inhibitors 比西切姆有限公司 2022-03-18 CN disclosed
WO-2021029632-A1 FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS BISICHEM CO., LTD. (KR) 2021-02-18 WO disclosed
US-20210040115-A1 FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS BISICHEM CO., LTD. (KR) 2021-02-11 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 (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-20210040115-A1 FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS RIPK1, RIPK3, RIPK4 HRH3 3096/4885ROCK2 350/4885CYP4F2 3120/4885

“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.