SCHEMBL1773246

SCHEMBL1773246

Cc1cnc(-c2ccc(C(C)(C)C)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
TSHR P16473 2/20 0.50
KIF11 P52732 3/20 0.47
XDH P47989 1/20 0.46
DGAT1 O75907 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL12173600 0.87 NPC1 (0.53) NPC1RAB9ATSHRKIF11XDH
SCHEMBL14062424 0.85 KIF11 (0.54) NPC1RAB9ATSHRKIF11XDH
SCHEMBL14062481 0.85 NPC1 (0.54) NPC1RAB9ATSHRKIF11XDH
SCHEMBL15599291 0.84 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL25490741 0.83 TSHR (0.50) NPC1RAB9ATSHRKIF11XDH
SCHEMBL27907861 0.82 NPC1 (0.48) NPC1RAB9ATSHRKIF11XDH
SCHEMBL16087798 0.82 RAB9A (0.50) NPC1RAB9ATSHRKIF11XDH
SCHEMBL5280182 0.82 LMNA (0.50) NPC1RAB9AKIF11ALDH1A1MAPT
SCHEMBL738443 0.80 CCR1 (0.46) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL10292271 0.79 RAB9A (0.46) NPC1RAB9ATSHRKIF11XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695149-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
US-9089569-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-28 US disclosed
US-20150119382-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-04-30 US disclosed
US-8952177-B2 1,2,6-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2015-02-10 US disclosed
US-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
CN-102066337-A 5-hydroxypyrimidine-4-carboxamide compounds DAIICHI SANKYO CO LTD 2011-05-18 CN disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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 (3 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-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 NPC1 3186/4885RAB9A 4055/4885TSHR 3677/4885
US-20150119382-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 NPC1 3186/4885RAB9A 4055/4885TSHR 3677/4885
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 NPC1 3977/4885RAB9A 4018/4885TSHR 879/4885

“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.