SCHEMBL10189277

SCHEMBL10189277

Cc1cc(-c2nscc2-c2ccc3c(c2)OCC3)cc2c1OCO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
HSD17B10 Q99714 2/20 0.32
RAB9A P51151 3/20 0.31
MAPT P10636 2/20 0.31
CD274 Q9NZQ7 1/20 0.31
PTGS2 P35354 1/20 0.31
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK1 P28482 1/20 0.30
MAP2K4 P45985 1/20 0.30

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
SCHEMBL617873 0.86 ALDH1A1 (0.40) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL10189278 0.82 UGT1A1 (0.41) SMN1; SMN2HSD17B10RAB9AMAPTPTGS2
SCHEMBL12339075 0.81 PRKAB2 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10189252 0.80 TGFBR1 (0.35) SMN1; SMN2NPC1ALDH1A1MEN1KMT2A
SCHEMBL10189274 0.80 CFTR (0.36) SMN1; SMN2HSD17B10RAB9AMAPTPTGS2
SCHEMBL10189276 0.78 PTGS2 (0.32) SMN1; SMN2HSD17B10MAPTPTGS2
SCHEMBL10189259 0.78 TUBB4A (0.36) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL10189263 0.77 CYP2A6 (0.45)
SCHEMBL615526 0.77 TGFBR1 (0.39) SMN1; SMN2NPC1ALDH1A1MEN1KMT2A
SCHEMBL10189778 0.76 BRD4 (0.32) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 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 (2 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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PRKAB2 2502/4885PRKAG1 2066/4885PRKAA2 2184/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PRKAB2 2502/4885PRKAG1 2066/4885PRKAA2 2184/4885

“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.