SCHEMBL1014913

SCHEMBL1014913

Cc1nc(NCc2ccccc2)ncc1C(=O)NC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SGMS2 Q8NHU3 1/20 0.51
KMT2A Q03164 2/20 0.51
NR3C1 P04150 1/20 0.51
CNR2 P34972 2/20 0.50
CNR1 P21554 1/20 0.50
NPC1 O15118 1/20 0.50
TYRO3 Q06418 4/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
EPHX1 P07099 1/20 0.49
HPGD P15428 1/20 0.49
CHEK1 O14757 1/20 0.49
IKBKB O14920 1/20 0.49
AURKA O14965 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 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
SCHEMBL1015403 1.00 RAB9A (0.58) RAB9ANPSR1SGMS2KMT2ANR3C1
SCHEMBL1013869 0.99 RAB9A (0.60) RAB9ANPSR1SGMS2KMT2ANR3C1
SCHEMBL1013775 0.87 NPC1 (0.55) RAB9ANPSR1KMT2ACNR2CNR1
SCHEMBL1015199 0.87 NPC1 (0.55) RAB9ANPSR1KMT2ACNR2CNR1
SCHEMBL1012283 0.86 TYRO3 (0.54) RAB9ANPSR1KMT2ACNR2CNR1
SCHEMBL1015521 0.86 TYRO3 (0.53) RAB9AKMT2ANPC1TYRO3MEN1
SCHEMBL1014954 0.86 TYRO3 (0.53) RAB9AKMT2ANPC1TYRO3MEN1
SCHEMBL1014721 0.85 TYRO3 (0.54) RAB9AKMT2ANPC1TYRO3MEN1
SCHEMBL1015261 0.85 TYRO3 (0.54) RAB9ANPSR1TYRO3ALDH1A1CHEK1
SCHEMBL1017472 0.84 TYRO3 (0.55) RAB9AKMT2ANPC1TYRO3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 RAB9A 1947/4885NPSR1 713/4885SGMS2 2099/4885

“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.