SCHEMBL20647014

SCHEMBL20647014

CC(=O)c1nn(C(F)F)c2cc(-c3cnn(C)c3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
LRRK2 Q5S007 3/20 0.43
GSK3B P49841 5/20 0.41
DYRK1A Q13627 5/20 0.41
USP30 Q70CQ3 1/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CREBBP Q92793 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
PIK3CG P48736 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ACVR1 Q04771 1/20 0.39

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
SCHEMBL19128438 0.91 PIM1 (0.46) BRD4LRRK2GSK3BDYRK1AUSP30
SCHEMBL20647015 0.88 GSK3B (0.45) BRD4LRRK2GSK3BDYRK1AUSP30
SCHEMBL20646747 0.88 BRD4 (0.39) BRD4LRRK2DYRK1AUSP30MKNK1
SCHEMBL23889068 0.85 BRD4 (0.35) BRD4LRRK2GSK3BDYRK1AUSP30
SCHEMBL19155651 0.81 ACVR1 (0.41) BRD4LRRK2GSK3BDYRK1APRMT5
SCHEMBL20646746 0.77 PRMT5 (0.36) BRD4LRRK2GSK3BDYRK1AUSP30
SCHEMBL20647033 0.77 RBP4 (0.41)
SCHEMBL17454426 0.76 BRD4 (0.47) BRD4LRRK2GSK3BDYRK1AUSP30
SCHEMBL23889059 0.76 PDGFRA (0.46) DYRK1A
SCHEMBL20646889 0.75 NR1H2 (0.44) BRD4LRRK2PIK3CGHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 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-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA BRD4 2778/4885LRRK2 42/4885GSK3B 17/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA BRD4 2778/4885LRRK2 42/4885GSK3B 17/4885

“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.