SCHEMBL10183102

SCHEMBL10183102

CCn1cnc2cnc(C(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 9/20 0.39
RAB9A P51151 8/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 1/20 0.37
EGFR P00533 1/20 0.36
POLB P06746 4/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL10183186 0.85 PI4KA (0.36) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL10183183 0.83 MAPT (0.42) ALDH1A1NPC1RAB9AMAPTHSD17B10
SCHEMBL10183132 0.83 POLB (0.56) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10183179 0.83 MAPT (0.42) ALDH1A1NPC1RAB9AMAPTHSD17B10
SCHEMBL10183171 0.80 EGFR (0.39) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL10183099 0.77 DYRK1A (0.38) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL10183190 0.76 SRC (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL15174835 0.76 PRPS1 (0.44) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2492804 0.76 NPC1 (0.43) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL10183153 0.76 MEN1 (0.41) ALDH1A1NPC1RAB9AKDM4EMAPT

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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1934/4885NPC1 959/4885RAB9A 614/4885

“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.