SCHEMBL6457779

SCHEMBL6457779

CN(C)c1ccnc(N[C@H]2CC[C@@H](N)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.50
PAK1 Q13153 2/20 0.50
HRH4 Q9H3N8 3/20 0.49
CDK7 P50613 5/20 0.48
CDK9 P50750 4/20 0.48
CCNB2 O95067 2/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
MAPK8 P45983 3/20 0.47
MAPK9 P45984 2/20 0.47
MAPK10 P53779 2/20 0.47
AURKB Q96GD4 2/20 0.47
JAK3 P52333 2/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDC7 O00311 1/20 0.47
CHEK1 O14757 1/20 0.47
DCLK1 O15075 1/20 0.47
MAPK13 O15264 1/20 0.47

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
SCHEMBL6463619 1.00 PAK4 (0.50) PAK4PAK1HRH4CDK7CDK9
Hydrochloric Acid SCHEMBL6464145 0.99 PAK4 (0.49) PAK4PAK1HRH4CDK7CDK9
SCHEMBL6461912 0.85 JAK3 (0.41) HRH4CDK1CCNB1MAPK8MAPK9
SCHEMBL6458459 0.85 MAPK6 (0.42) PAK4PAK1HRH4MAPK8MAPK9
SCHEMBL6464494 0.84 CTSK (0.41) HRH4CDK1CCNB1JAK3CDK2
Hydrochloric Acid SCHEMBL6463534 0.83 MAPK6 (0.41) PAK4PAK1HRH4MAPK8MAPK9
SCHEMBL6455641 0.82 MCHR1 (0.48) MAPK8MAPK9MAPK10AURKBJAK3
Hydrochloric Acid SCHEMBL6463526 0.81 MAPK6 (0.43) MAPK8JAK3LCKIRAK4MAPK14
Hydrochloric Acid SCHEMBL6463532 0.81 MAPK6 (0.43) MAPK8JAK3LCKIRAK4MAPK14
SCHEMBL13779899 0.81 IKBKB (0.57) HRH4CDK1CCNB1MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 PAK4 834/4885PAK1 1665/4885HRH4 19/4885

“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.