SCHEMBL18940586

SCHEMBL18940586

COc1ccc2cc(C(=O)O)n(CC3CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
KDM2B Q8NHM5 6/20 0.43
NOTUM Q6P988 1/20 0.40
CCR9 P51686 2/20 0.40
PIK3CA P42336 1/20 0.38
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGER4 P35408 2/20 0.37
CCR2 P41597 1/20 0.36
PADI4 Q9UM07 1/20 0.36

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
SCHEMBL20121087 0.89 ROCK2 (0.47) ROCK2ROCK1KDM2BPIK3CAMTNR1A
SCHEMBL18938865 0.83 NOTUM (0.41) ROCK2ROCK1NOTUMCCR9PIK3CA
SCHEMBL18969559 0.82 ROCK2 (0.44) ROCK2ROCK1KDM2BMTNR1AMTNR1B
SCHEMBL31215258 0.82 ROCK2 (0.44) ROCK2ROCK1KDM2BMTNR1AMTNR1B
SCHEMBL28577593 0.81 NOTUM (0.41) ROCK2ROCK1NOTUMCCR9PTGER4
SCHEMBL29850057 0.81 NOTUM (0.40) ROCK2ROCK1NOTUMCCR9PIK3CA
SCHEMBL29850694 0.81 CCR9 (0.56) ROCK2ROCK1NOTUMCCR9PTGER4
SCHEMBL18940655 0.81 CCR9 (0.56) ROCK2ROCK1NOTUMCCR9PTGER4
SCHEMBL18969545 0.81 NOTUM (0.40) ROCK2ROCK1NOTUMCCR9PIK3CA
SCHEMBL28839575 0.79 ROCK2 (0.41) ROCK2ROCK1KDM2BNOTUMPTGER4

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 21 patents — showing the first 20. 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-112789087-B Benzimidazole inhibitors of PAD enzymes 百时美施贵宝公司 2024-08-13 CN disclosed
EP-3833439-B1 BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES BRISTOL MYERS SQUIBB CO (US) 2023-07-12 EP disclosed
US-20220348562-A1 BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES BRISTOL MYERS SQUIBB CO (US) 2022-11-03 US disclosed
CN-109069869-B Bicyclic PAD4 inhibitors 帕德罗科治疗公司 2022-09-13 CN disclosed
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
EP-3833439-A1 BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES Bristol-Myers Squibb Company (US) 2021-06-16 EP disclosed
EP-3386590-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-02 EP disclosed
EP-3386590-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-02 EP disclosed
WO-2020033514-A1 BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-13 WO disclosed
EP-3386590-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2018-10-17 EP disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963448-B2 Bicyclic inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
WO-2017100594-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
WO-2017100594-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-20170166565-A1 BICYCLIC 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 (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-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 ROCK2 3597/4885ROCK1 3617/4885KDM2B 328/4885
US-20220348562-A1 BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES PADI4, PADI1, PADI2 ROCK2 1949/4885ROCK1 1166/4885KDM2B 52/4885

“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.