SCHEMBL10184009

SCHEMBL10184009

CCn1cnc2cnc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
ASPH Q12797 2/20 0.37
KDM4E B2RXH2 4/20 0.37
KDM8 Q8N371 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL13275435 0.81 HDAC1 (0.36) HDAC1HDAC8NPC1RAB9ASMN1; SMN2
SCHEMBL1867752 0.80 CYP11B1 (0.55) HDAC1HDAC8SMN1; SMN2ALDH1A1PKM
SCHEMBL30676149 0.79 ALDH1A1 (0.42) HDAC1HDAC8NPC1RAB9ASMN1; SMN2
SCHEMBL30676140 0.79 ALDH1A1 (0.42) HDAC1HDAC8NPC1RAB9ASMN1; SMN2
SCHEMBL2947208 0.79 ALDH1A1 (0.42) HDAC1HDAC8NPC1RAB9ASMN1; SMN2
SCHEMBL10184006 0.78 TSHR (0.46) RAB9ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL2949310 0.76 MMP13 (0.53) HDAC1SMN1; SMN2ALDH1A1
SCHEMBL30080492 0.76 GABRG2 (0.40) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31140555 0.76 GABRG2 (0.40) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3838757 0.75 FGFR1 (0.56) HDAC1HDAC8NPC1RAB9AALDH1A1

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
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
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 WO 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 HDAC1 1256/4885HDAC8 1875/4885NPC1 959/4885

“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.