SCHEMBL3109968

SCHEMBL3109968

CC1CCc2ccc(N)cc2N1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 2/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
HSD17B3 P37058 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
RAD52 P43351 1/20 0.36
DRD1 P21728 1/20 0.35
GRIN2B Q13224 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
Hydrochloric Acid SCHEMBL12500832 0.85 ATAD2 (0.42) ATAD2BRD4ALDH1A1HTTKDM4E
SCHEMBL4611468 0.82 MAPT (0.41) ATAD2BRD4ALDH1A1HTTKDM4E
SCHEMBL24359114 0.79 TSHR (0.50) ALDH1A1HTTMEN1KMT2ATSHR
SCHEMBL9806983 0.79 ATAD2 (0.40) ATAD2BRD4ALDH1A1HTTHSD17B3
SCHEMBL27632060 0.78 ATAD2 (0.42) ATAD2BRD4ALDH1A1HTTHSD17B3
SCHEMBL9056887 0.77 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2GAAMEN1
SCHEMBL9230128 0.74 POLB (0.51) SMN1; SMN2GAAMEN1KMT2ATSHR
SCHEMBL811848 0.74 POLB (0.51) SMN1; SMN2GAAMEN1KMT2ATSHR
SCHEMBL15222054 0.74 POLB (0.51) SMN1; SMN2GAAMEN1KMT2ATSHR
SCHEMBL29659945 0.74 POLB (0.51) SMN1; SMN2GAAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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 (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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG ATAD2 3549/4885BRD4 280/4885ALDH1A1 1381/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG ATAD2 3549/4885BRD4 280/4885ALDH1A1 1381/4885

“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.