SCHEMBL10115951

SCHEMBL10115951

CC[C@H](C)c1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.36
CYP2D6 P10635 4/20 0.35
HRH1 P35367 3/20 0.35
KCNH2 Q12809 2/20 0.35
CHRM1 P11229 1/20 0.35
HSP90AA1 P07900 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL12694263 1.00 RAB9A (0.41) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL294332 1.00 RAB9A (0.41) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13104826 1.00 RAB9A (0.41) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28822429 0.84 KDM4E (0.40) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL18595067 0.83 SMN1; SMN2 (0.37) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL295095 0.81 KDM4E (0.38) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL26828373 0.80 CYP2D6 (0.39) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8507646 0.80 ATM (0.37) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12041542 0.79 KDM4E (0.37) RAB9AKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30719393 0.79 KDM4E (0.39) RAB9AALDH1A1SMN1; SMN2KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2410858-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 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 (3 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 RAB9A 3699/4885KMT2A 4191/4885ALDH1A1 2538/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 RAB9A 3810/4885KMT2A 4097/4885ALDH1A1 2798/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA RAB9A 986/4885KMT2A 3734/4885ALDH1A1 4026/4885

“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.