SCHEMBL18969554

SCHEMBL18969554

COC(=O)c1cc2cnc(Cl)nc2n1CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAP3K11 Q16584 2/20 0.36
MAPT P10636 3/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
P2RX3 P56373 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PTGS2 P35354 1/20 0.34
PTGER4 P35408 1/20 0.34
MERTK Q12866 1/20 0.34

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
SCHEMBL18969552 0.87 CTSL (0.35) ROCK2ROCK1
SCHEMBL18969558 0.87 ROCK2 (0.41) KMT2AROCK2ROCK1MAP3K11MAPT
SCHEMBL20121088 0.86 ROCK2 (0.44) KMT2AROCK2ROCK1MAP3K11CDK4
SCHEMBL18938861 0.82 ROCK2 (0.47) KMT2AROCK2ROCK1MAPTP2RX3
SCHEMBL29641293 0.82 ROCK2 (0.47) KMT2AROCK2ROCK1MAPTP2RX3
SCHEMBL4549829 0.81 KMT2A (0.42) KMT2AMAPTMTNR1AMTNR1BLMNA
SCHEMBL4200763 0.79 GRK6 (0.42) KMT2AMTNR1AMTNR1B
SCHEMBL18938869 0.78 ROCK2 (0.45) KMT2AROCK2ROCK1MTNR1AMTNR1B
SCHEMBL20121087 0.77 ROCK2 (0.47) ROCK2ROCK1MTNR1AMTNR1B
SCHEMBL31372001 0.77 CDK4 (0.53) CDK4CCND1CCNE1CDK2CCND3

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 6 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
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-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 (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-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 KMT2A 427/4885ROCK2 3597/4885ROCK1 3617/4885

“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.