SCHEMBL4947037

SCHEMBL4947037

Nc1nccc(Nc2ccc(OCCN3CCOCC3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
FLT3 P36888 1/20 0.51
BACE1 P56817 2/20 0.51
AURKA O14965 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
TTK P33981 1/20 0.51
AURKB Q96GD4 1/20 0.51
ROCK1 Q13464 2/20 0.50
KCNH2 Q12809 1/20 0.50
SCN9A Q15858 1/20 0.50
BCHE P06276 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
MAOB P27338 1/20 0.50
CA12 O43570 1/20 0.49

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
SCHEMBL28941887 0.83 NPC1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4764873 0.81 ABL1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11876984 0.76 NPC1 (0.70) CA12CA1CA2CA7CA9
SCHEMBL6180053 0.76 CA12 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11882168 0.75 KDM4E (0.62) CYP1A2KCNH2CA12CA1CA2
SCHEMBL4883502 0.75 SYK (0.56) AURKACCNA2CDK2TTKAURKB
SCHEMBL4947033 0.75 ABL1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL374497 0.74 LTA4H (0.67) CYP1A2KCNH2CA12CA1CA2
SCHEMBL113405 0.73 LTA4H (0.63) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12968973 0.73 SYK (0.71) ROCK1KCNH2SCN9ACA12CA1

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-8293746-B2 Pyrimidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors NOVARTIS AG 2008-12-18 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 (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-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors FGFR1, FGF1, FGF2 CYP1A2 1058/4885CYP3A4 2061/4885CYP2D6 1392/4885

“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.