SCHEMBL2596823

SCHEMBL2596823

Cc1cccc(-c2cc(N)c(C)cn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
CCR8 P51685 1/20 0.55
METAP2 P50579 1/20 0.45
TGFBR1 P36897 7/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
CYP2A6 P11509 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2596824 0.77 UHRF1 (0.38) NOS3NOS2GRIN2DGRIN3BCHRM1
SCHEMBL11360122 0.75 CCR1 (0.59) CCR1CCR8METAP2TGFBR1CYP2A6
SCHEMBL196966 0.74 CCR1 (1.00) CCR1CCR8METAP2TGFBR1NOS3
SCHEMBL30511194 0.74 CCR1 (1.00) CCR1CCR8METAP2TGFBR1NOS3
SCHEMBL29388304 0.74 CCR1 (1.00) CCR1CCR8METAP2TGFBR1NOS3
SCHEMBL457288 0.73 LDHA (0.53) KDM4EADORA2AADORA1MEN1ALDH1A1
SCHEMBL2596884 0.72 TGFBR1 (0.45) TGFBR1NOS3NOS2GRIN2DGRIN3B
SCHEMBL29751919 0.72 CCR1 (0.94) CCR1CCR8METAP2TGFBR1NOS3
SCHEMBL20557390 0.72 CCR1 (0.94) CCR1CCR8METAP2TGFBR1NOS3
SCHEMBL29751933 0.72 CCR1 (0.94) CCR1CCR8METAP2TGFBR1NOS3

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-9073918-B2 Pyrazolo[4,3-b]pyridine-7-amine inhibitors of ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-07 US disclosed
US-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 US disclosed
WO-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 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-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 ALK, ALKBH5, ALKBH3 CCR1 2429/4885CCR8 2102/4885METAP2 3901/4885

“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.