SCHEMBL22220885

SCHEMBL22220885

COc1ccc2c(c1)nc(-c1ccc(-c3ccccc3)cc1)n2CC1CCN(C(=O)C2CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.51
PTGER4 P35408 1/20 0.51
MAPK10 P53779 1/20 0.49
P2RX3 P56373 2/20 0.47
BRD2 P25440 1/20 0.46
EP300 Q09472 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
FASN P49327 1/20 0.46

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
SCHEMBL10698 1.00 BRD4 (0.51) BRD4PTGER4MAPK10P2RX3BRD2
SCHEMBL10699 1.00 BRD4 (0.51) BRD4PTGER4MAPK10P2RX3BRD2
SCHEMBL22220864 0.95 P2RX3 (0.51) BRD4PTGER4MAPK10P2RX3BRD2
SCHEMBL10604 0.95 P2RX3 (0.51) BRD4PTGER4MAPK10P2RX3BRD2
SCHEMBL10603 0.95 P2RX3 (0.51) BRD4PTGER4MAPK10P2RX3BRD2
SCHEMBL22220805 0.93 BRD4 (0.51) BRD4PTGER4MAPK10BRD2EP300
SCHEMBL10397 0.93 BRD4 (0.51) BRD4PTGER4MAPK10BRD2EP300
SCHEMBL10396 0.93 BRD4 (0.51) BRD4PTGER4MAPK10BRD2EP300
SCHEMBL22220873 0.92 FASN (0.49) BRD4PTGER4MAPK10P2RX3FASN
SCHEMBL9857 0.92 FASN (0.49) BRD4PTGER4MAPK10P2RX3FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC BRD4 2526/4885PTGER4 1647/4885MAPK10 3701/4885

“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.