SCHEMBL5066563

SCHEMBL5066563

[c]1nc(-c2nc3ccccc3[nH]2)c(-c2nccc3ccccc23)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
KDM4E B2RXH2 9/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 2/20 0.42
ABCB11 O95342 1/20 0.42
PDPK1 O15530 1/20 0.42
GAA P10253 2/20 0.41
METAP2 P50579 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL147654 0.83 KDM4E (0.60) FGFR1FLT1KDM4ENPC1RAB9A
SCHEMBL30860691 0.83 KDM4E (0.60) FGFR1FLT1KDM4ENPC1RAB9A
SCHEMBL5819055 0.70 FGFR1 (0.53) FGFR1FLT1KDM4ENPC1RAB9A
SCHEMBL717809 0.70 NPC1 (0.67) FGFR1FLT1KDM4ENPC1RAB9A
SCHEMBL30277951 0.70 NPC1 (0.67) FGFR1FLT1KDM4ENPC1RAB9A
SCHEMBL6161364 0.68 F10 (0.54) CHEK1
SCHEMBL4115108 0.67 FGFR1 (0.58) FGFR1FLT1KDM4ENPC1RAB9A
SCHEMBL311148 0.66 FGFR1 (1.00) FGFR1FLT1KDM4ENPC1RAB9A
Benzene SCHEMBL29179821 0.66 RAB9A (0.64) FGFR1FLT1KDM4ENPC1RAB9A
SCHEMBL29714859 0.66 FGFR1 (1.00) FGFR1FLT1KDM4ENPC1RAB9A

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-20080146540-A1 Methods of diagnosis and treatment for asthma, allergic rhinitis and other respiratory diseases based on haplotype association DECODE GENETICS EHF. (IS) 2008-06-19 US disclosed
EP-1848436-A2 METHODS OF DIAGNOSIS AND TREATMENT FOR ASTHMA, ALLERGIC RHINITIS AND OTHER RESPIRATORY DISEASES BASED ON HAPLOTYPE ASSOCIATION Decode Genetics EHF. (IS) 2007-10-31 EP disclosed
WO-2006081555-A2 METHODS OF DIAGNOSIS AND TREATMENT FOR ASTHMA, ALLERGIC RHINITIS AND OTHER RESPIRATORY DISEASES BASED ON HAPLOTYPE ASSOCIATION DECODE GENETICS EHF. (IS) 2006-08-03 WO disclosed
EP-1646372-A2 METHODS OF DIAGNOSIS AND TREATMENT FOR ASTHMA BASED ON HAPLOTYPE ASSOCIATION Decode Genetics EHF. (IS) 2006-04-19 EP disclosed
US-20060014165-A1 Methods of diagnosis and treatment for asthma and other respiratory diseases based on haplotype association DECODE GENETICS EHF. (IS) 2006-01-19 US disclosed
WO-2005007144-A2 METHOD OF DIAGNOSIS AND TREATMENT FOR ASTHMA BASED ON HAPLOTYPE ASSOCIATION DECODE GENETICS EHF (IS) 2005-01-27 WO disclosed
US-6306849-B1 FUSED HETEROCYCLIC COMPOUNDS WITH ETHER, AMIDES, ESTER AND AMINES CEPHALON, INC. 2001-10-23 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-20080146540-A1 Methods of diagnosis and treatment for asthma, allergic rhinitis and other respiratory diseases based on haplotype association MAP3K9, MAP4K5, MAP3K19 FGFR1 2308/4885FLT1 3370/4885KDM4E 2444/4885
US-20060014165-A1 Methods of diagnosis and treatment for asthma and other respiratory diseases based on haplotype association MAP3K9, MAP3K19, MAP4K5 FGFR1 2983/4885FLT1 3965/4885KDM4E 2931/4885

“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.