SCHEMBL4950163

SCHEMBL4950163

CNc1cc(Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
DRD4 P21917 3/20 0.51
GSK3B P49841 1/20 0.51
MAPT P10636 3/20 0.50
USP2 O75604 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
JAK2 O60674 3/20 0.49
JAK1 P23458 2/20 0.49
FYN P06241 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.48
JAK3 P52333 3/20 0.47
HCK P08631 1/20 0.47
BTK Q06187 1/20 0.47
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL374708 0.84 HCK (0.58) KDM1AMAPTCD274JAK2JAK1
SCHEMBL374474 0.82 METTL3 (0.47) MAPTCD274JAK2JAK1FYN
SCHEMBL374385 0.80 EGFR (0.64) CD274JAK2JAK1JAK3
SCHEMBL374409 0.78 CD274 (0.59) MAPTCD274JAK2JAK1JAK3
SCHEMBL22531924 0.78 CD274 (0.53) CD274JAK2JAK1JAK3
SCHEMBL374635 0.77 CD274 (0.55) MAPTCD274JAK2JAK1JAK3
SCHEMBL4766476 0.77 CYP1A2 (0.53) JAK2JAK1JAK3
SCHEMBL374541 0.77 TNNI3K (0.47) JAK2JAK1FYNPOLBJAK3
SCHEMBL4947981 0.74 HCK (0.51) CD274JAK2JAK1JAK3HCK
SCHEMBL374379 0.74 KDM4E (0.46) JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976847-B1 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2015-06-17 EP disclosed
US-8759517-B2 Pyrirnidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors NOVARTIS AG (CH) 2013-01-31 US disclosed
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 (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-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors FGFR1, FGF1, FGF2 KDM1A 1550/4885DRD4 4846/4885GSK3B 2090/4885
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors FGFR1, FGF1, FGF2 KDM1A 1550/4885DRD4 4846/4885GSK3B 2090/4885

“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.