SCHEMBL20022604

SCHEMBL20022604

Cc1cc(-c2ccnc(N)n2)ccc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.53
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
AURKA O14965 2/20 0.47
HSP90AA1 P07900 2/20 0.47
PRKACA P17612 1/20 0.47
ADORA2A P29274 1/20 0.47
CDK2 P24941 3/20 0.47
ROCK1 Q13464 3/20 0.47
CHUK O15111 1/20 0.47
PDPK1 O15530 1/20 0.47
RPS6KB1 P23443 1/20 0.47
KDR P35968 1/20 0.47
TGFBR1 P36897 1/20 0.47
SYK P43405 1/20 0.47
JAK3 P52333 1/20 0.47
AURKB Q96GD4 1/20 0.47
MAP3K5 Q99683 1/20 0.47
AAK1 Q2M2I8 1/20 0.45

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
SCHEMBL16814178 0.90 KMO (0.51) KMOKDM4EALDH1A1MAPTAURKA
SCHEMBL15889921 0.82 KMO (0.60) KMOKDM4EALDH1A1MAPTAURKA
SCHEMBL18179501 0.82 KMO (0.42) KMOKDM4EALDH1A1MAPTAAK1
SCHEMBL22641600 0.78 KMO (0.73) KMOKDM4EALDH1A1MAPTAURKA
SCHEMBL16794218 0.76 KMO (0.53) KMOKDM4EALDH1A1MAPTAURKA
SCHEMBL29676670 0.76 KMO (0.53) KMOKDM4EALDH1A1MAPTAURKA
SCHEMBL3454021 0.76 KMO (0.60) KMOKDM4EALDH1A1MAPTAURKA
SCHEMBL22641581 0.75 KMO (0.73) KMOKDM4EALDH1A1MAPTAURKA
SCHEMBL10918299 0.74 KMO (0.57) KMOKDM4EALDH1A1MAPTAURKA
SCHEMBL2994671 0.73 HSP90AA1 (0.66) KMOKDM4EALDH1A1MAPTAURKA

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
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 US disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 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-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN KMO 1672/4885KDM4E 1273/4885ALDH1A1 4265/4885

“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.