SCHEMBL3387987

SCHEMBL3387987

CCNCc1cc2ccccc2nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
PDE10A Q9Y233 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR8 Q9NR97 2/20 0.42
FAAH O00519 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.40
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
GFER P55789 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
SCHEMBL14128830 0.83 KMT2A (0.64) KMT2AMAPTL3MBTL1DRD4DRD3
SCHEMBL22721453 0.82 KMT2A (0.50) KMT2AMAPTL3MBTL1DRD4DRD3
SCHEMBL22721455 0.82 KMT2A (0.50) KMT2AMAPTL3MBTL1DRD4DRD3
SCHEMBL22744558 0.81 KMT2A (0.57) KMT2AMAPTL3MBTL1DRD4DRD3
SCHEMBL8735682 0.81 KMT2A (0.70) KMT2AMAPTPDE10AALDH1A1KDM4E
SCHEMBL13958875 0.79 KMT2A (0.58) KMT2AMAPTL3MBTL1DRD4DRD3
SCHEMBL14094273 0.79 KMT2A (0.58) KMT2AMAPTL3MBTL1DRD4DRD3
SCHEMBL12903054 0.78 ALDH1A1 (0.48) KMT2AMAPTL3MBTL1DRD4DRD3
SCHEMBL18434124 0.77 KMT2A (0.60) KMT2AMAPTL3MBTL1DRD4DRD3
SCHEMBL30162631 0.75 KMT2A (1.00) KMT2AMAPTPDE10AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP KMT2A 4561/4885MAPT 4381/4885L3MBTL1 2417/4885
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 KMT2A 4151/4885MAPT 4862/4885L3MBTL1 3778/4885

“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.