SCHEMBL18938869

SCHEMBL18938869

COC(=O)c1cc2ccc(O)nc2n1CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
PTGER4 P35408 1/20 0.37
KDM2B Q8NHM5 5/20 0.36
TSHR P16473 2/20 0.36
PADI4 Q9UM07 1/20 0.36
TP53 P04637 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK8 P45983 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL29641293 0.86 ROCK2 (0.47) ROCK2ROCK1MTNR1AMTNR1BPTGER4
SCHEMBL18938861 0.86 ROCK2 (0.47) ROCK2ROCK1MTNR1AMTNR1BPTGER4
SCHEMBL20121087 0.86 ROCK2 (0.47) ROCK2ROCK1MTNR1AMTNR1BKDM2B
SCHEMBL18969563 0.86 ROCK2 (0.39) ROCK2ROCK1KDM2BTSHRTP53
SCHEMBL18938865 0.85 NOTUM (0.41) ROCK2ROCK1PTGER4
SCHEMBL18938863 0.85 ROCK2 (0.44) ROCK2ROCK1MTNR1AMTNR1BPTGER4
SCHEMBL29850606 0.85 ROCK2 (0.44) ROCK2ROCK1MTNR1AMTNR1BPTGER4
SCHEMBL19359607 0.84 ROCK2 (0.45) ROCK2ROCK1MTNR1AMTNR1BPADI4
SCHEMBL18960745 0.83 ROCK2 (0.45) ROCK2ROCK1MTNR1AMTNR1BPADI4
SCHEMBL29850224 0.83 ROCK2 (0.45) ROCK2ROCK1MTNR1AMTNR1BPADI4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP disclosed
CN-109069869-B Bicyclic PAD4 inhibitors 帕德罗科治疗公司 2022-09-13 CN disclosed
CN-108601770-B Aza-benzimidazole inhibitors of PAD4 帕德罗科治疗公司 2021-06-04 CN disclosed
EP-3386505-B1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2020-09-23 EP disclosed
EP-3386505-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2018-10-17 EP disclosed
US-9765093-B2 Aza-benzimidazole inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-09-19 US disclosed
US-9765093-B2 Aza-benzimidazole inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-09-19 US disclosed
US-9765093-B2 Aza-benzimidazole inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-09-19 US disclosed
WO-2017100601-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
US-20170166592-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166592-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166592-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 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-20170166592-A1 AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 PADI4, PADI1, PADI6 ROCK2 3328/4885ROCK1 3359/4885MTNR1A 4673/4885

“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.