SCHEMBL5339931

SCHEMBL5339931

CC(C)n1cc(-c2cc(Oc3cccc(N)c3)ncn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FGFR1 P11362 4/20 0.40
FGFR2 P21802 4/20 0.40
FGFR3 P22607 4/20 0.40
KDR P35968 3/20 0.37
LCK P06239 1/20 0.37
TEK Q02763 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ROCK1 Q13464 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CG P48736 2/20 0.36
PIP5K1C O60331 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL5340477 0.85 NPC1 (0.47) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5380356 0.78 NPC1 (0.41) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5342655 0.78 NPC1 (0.47) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5424683 0.77 PIM1 (0.43) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5452651 0.77 MAPT (0.42) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5339896 0.77 KDR (0.45) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL29405315 0.74 ASIC3 (0.45) FGFR1FGFR2FGFR3KDRPIK3CD
SCHEMBL21887462 0.74 ASIC3 (0.45) FGFR1FGFR2FGFR3KDRPIK3CD
SCHEMBL21887563 0.74 ASIC3 (0.49) FGFR1FGFR2FGFR3KDRPIK3CD
SCHEMBL5454528 0.74 FGFR1 (0.46) NPC1RAB9ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300930-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-27 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-7160896-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-01-09 US disclosed
US-20060111389-A1 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-05-25 US disclosed
EP-1363888-A2 THERAPEUTIC ACRIDONE AND ACRIDINE COMPOUNDS Cancer Research Technology Limited (GB) 2003-11-26 EP disclosed
WO-2002008193-A2 THERAPEUTIC ACRIDONE AND ACRIDINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-01-31 WO 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-20060111389-A1 Therapeutic acridone and acridine compounds TERT, ACIN1, NAT1 NPC1 1419/4885RAB9A 2492/4885CYP1A2 1403/4885
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 NPC1 4325/4885RAB9A 1640/4885CYP1A2 4043/4885

“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.