SCHEMBL9931092

SCHEMBL9931092

O=C(O)c1csc2c(NC3CCNCC3)ncnc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 7/20 0.51
AURKA O14965 4/20 0.51
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
USP2 O75604 2/20 0.40
TSHR P16473 1/20 0.40
ERN1 O75460 3/20 0.40
BRAF P15056 3/20 0.40
PRKCI P41743 4/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDPK1 O15530 2/20 0.37

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
SCHEMBL2312296 0.91 MAPT (0.48) RPS6KB1AURKAMAPTERN1BRAF
SCHEMBL9931440 0.85 JAK2 (0.46) RPS6KB1AURKAMAPTERN1BRAF
SCHEMBL9931421 0.83 MAPT (0.43) RPS6KB1AURKAMAPTERN1BRAF
SCHEMBL9931348 0.82 MAPT (0.41) RPS6KB1AURKAMAPTALDH1A1ERN1
SCHEMBL9931256 0.81 ADORA1 (0.41) MAPTERN1BRAF
SCHEMBL9930629 0.81 MAPT (0.44) RPS6KB1MAPTALDH1A1ERN1BRAF
SCHEMBL9930225 0.81 CHRM4 (0.43) RPS6KB1AURKAMAPTALDH1A1ERN1
SCHEMBL2236509 0.77 BRAF (0.44) RPS6KB1AURKAMAPTALDH1A1CYP1A2
SCHEMBL14574926 0.76 RPS6KB1 (0.80) RPS6KB1AURKAALDH1A1CYP1A2HSD17B10
SCHEMBL9930988 0.75 AURKA (0.43) RPS6KB1AURKAMAPTKDM4EERN1

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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF RPS6KB1 315/4885AURKA 1013/4885MAPT 1082/4885

“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.