SCHEMBL18969558

SCHEMBL18969558

COC(=O)c1cc2cnc(C)nc2n1CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KMT2A Q03164 1/20 0.37
MAP3K11 Q16584 2/20 0.37
LMNA P02545 2/20 0.37
PTGER4 P35408 1/20 0.37
NOTUM Q6P988 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL18969554 0.87 KMT2A (0.41) ROCK2ROCK1KMT2AMAP3K11LMNA
SCHEMBL20121088 0.87 ROCK2 (0.44) ROCK2ROCK1KMT2AMAP3K11CDK4
SCHEMBL18938869 0.79 ROCK2 (0.45) ROCK2ROCK1KMT2ALMNAPTGER4
SCHEMBL18938861 0.78 ROCK2 (0.47) ROCK2ROCK1KMT2ALMNAPTGER4
SCHEMBL20121087 0.78 ROCK2 (0.47) ROCK2ROCK1MTNR1AMTNR1B
SCHEMBL29641293 0.78 ROCK2 (0.47) ROCK2ROCK1KMT2ALMNAPTGER4
SCHEMBL29850606 0.77 ROCK2 (0.44) ROCK2ROCK1KMT2APTGER4TSHR
SCHEMBL18938863 0.77 ROCK2 (0.44) ROCK2ROCK1KMT2APTGER4TSHR
SCHEMBL18969543 0.77 ROCK2 (0.40) ROCK2ROCK1KMT2AMAP3K11TSHR
SCHEMBL29850442 0.77 ROCK2 (0.40) ROCK2ROCK1KMT2AMAP3K11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ROCK2 3597/4885ROCK1 3617/4885KMT2A 427/4885

“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.