SCHEMBL481372

SCHEMBL481372

CCC(c1ccccc1)c1nc(N)c(N)nc1-c1cccc2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.41
TACR3 P29371 8/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PGK1 P00558 1/20 0.37
P2RX7 Q99572 1/20 0.37
TACR2 P21452 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDR P35968 1/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
ACVR1 Q04771 1/20 0.35
TGFBR1 P36897 2/20 0.35
TSHR P16473 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
SCHEMBL481703 0.86 ATR (0.43) ATRCA12CA1CA2CA9
SCHEMBL481401 0.86 ATR (0.43) ATRCA12CA1CA2CA9
SCHEMBL3955506 0.70 ATR (0.48) ATRTACR3TACR2
SCHEMBL3956534 0.70 ATR (0.48) ATRTACR3TACR2
SCHEMBL3955488 0.70 LDHA (0.52) ATRKDM4EALDH1A1
SCHEMBL3955930 0.70 LDHA (0.52) ATRKDM4EALDH1A1
SCHEMBL482232 0.67 ATR (0.43) ATRCA12CA1CA2CA9
SCHEMBL482214 0.65 ATR (0.51) ATRCA12CA1CA2CA9
SCHEMBL198641 0.65 MAPT (0.64) CA12CA1CA2CA9P2RX7
SCHEMBL481930 0.65 ATR (0.59) ATRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA ATR 562/4885TACR3 4566/4885CA12 4559/4885

“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.