SCHEMBL1150146

SCHEMBL1150146

O=C(Nc1cnc(N2CCN3CCC2CC3)nc1)c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 3/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
CLK2 P49760 2/20 0.44
DCLK1 O15075 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
NTRK1 P04629 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CDK1 P06493 1/20 0.44
CSF1R P07333 1/20 0.44
LYN P07948 1/20 0.44
SRC P12931 1/20 0.44
MARK3 P27448 1/20 0.44
AXL P30530 1/20 0.44

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
Hydrochloric Acid SCHEMBL1149845 0.99 CRACR2A (0.46) CRACR2ANPC1RAB9ACLK2DCLK1
SCHEMBL1473951 0.91 NPC1 (0.54) CRACR2ANPC1RAB9ALMNAP4HTM
Hydrochloric Acid SCHEMBL1471256 0.90 NPC1 (0.53) CRACR2ANPC1RAB9ALMNAP4HTM
SCHEMBL1149603 0.89 CRACR2A (0.53) CRACR2ANPC1RAB9ACLK2DYRK3
Hydrochloric Acid SCHEMBL1149669 0.88 CRACR2A (0.52) CRACR2ANPC1RAB9ACLK2DYRK3
SCHEMBL4085016 0.84 HTR1F (0.50) NPC1RAB9AP4HTMPTPN11TP53
SCHEMBL244941 0.83 PTPN11 (0.46) NPC1RAB9APTPN11ALDH1A1
SCHEMBL1150151 0.83 NPC1 (0.49) NPC1RAB9ALMNAPTPN11ALDH1A1
SCHEMBL4089919 0.83 RAB9A (0.50) NPC1RAB9ALMNAALDH1A1TP53
SCHEMBL1150145 0.83 PTPN11 (0.42) NPC1RAB9ALMNAPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-02-24 US claimed
EP-2209782-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2010-07-28 EP claimed
WO-2009062987-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-05-22 WO claimed
US-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2011-02-24 US disclosed
EP-2209782-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2010-07-28 EP disclosed
WO-2009062987-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-05-22 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 (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-20110046118-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL PYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE CHRNA6, CHRNA5, CHRNA2 CRACR2A 3646/4885NPC1 1368/4885RAB9A 2623/4885

“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.