SCHEMBL4947033

SCHEMBL4947033

CNc1cc(Nc2ccc(OCCN3CCOCC3)cc2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.59
BCR P11274 4/20 0.59
CDK2 P24941 2/20 0.53
AURKA O14965 1/20 0.53
CCNA2 P20248 1/20 0.53
TTK P33981 1/20 0.53
AURKB Q96GD4 1/20 0.53
NPC1 O15118 2/20 0.51
LTA4H P09960 1/20 0.50
CCNE1 P24864 1/20 0.49
HSF1 Q00613 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 2/20 0.48

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
SCHEMBL374814 0.90 CYP3A4 (0.53) LTA4HCYP3A4KDM4EHRH3SRC
SCHEMBL374753 0.88 SRC (0.50) ABL1BCRNPC1LTA4HCYP3A4
SCHEMBL4764873 0.87 ABL1 (0.57) ABL1BCRCDK2AURKACCNA2
SCHEMBL374272 0.83 SRC (0.51) ABL1BCRAURKAAURKBNPC1
SCHEMBL12517819 0.83 TNNI3K (0.63)
SCHEMBL113405 0.81 LTA4H (0.63) NPC1LTA4HCYP1A2CYP3A4CYP2D6
SCHEMBL374259 0.78 CYP3A4 (0.51) ABL1BCRLTA4HCYP3A4ALDH1A1
SCHEMBL11882168 0.78 KDM4E (0.62) NPC1LTA4HCYP1A2ALDH1A1RAB9A
SCHEMBL374409 0.78 CD274 (0.59) ABL1BCRMAPK1
SCHEMBL374879 0.78 EGFR (0.64) ABL1CYP3A4SRC

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 ABL1 9/4885BCR 356/4885CDK2 24/4885
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors FGFR1, FGF1, FGF2 ABL1 9/4885BCR 356/4885CDK2 24/4885

“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.