SCHEMBL3086729

SCHEMBL3086729

Cc1nc(N=C(c2ccccc2)c2ccccc2)sc1Br

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
GAA P10253 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 3/20 0.31
CHRM4 P08173 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14302479 0.81 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2HTTLMNANPC1
SCHEMBL24023331 0.81 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTTLMNANPC1
SCHEMBL3085308 0.72 PIK3CD (0.52) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL2359189 0.70 RAB9A (0.46) ALDH1A1SMN1; SMN2HTTLMNANPC1
SCHEMBL1260386 0.70 CCNE1 (0.37) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL24023268 0.69 MEN1 (0.33) ALDH1A1SMN1; SMN2HTTLMNANPC1
SCHEMBL24023338 0.66 XIAP (0.34) ALDH1A1HTTLMNANPC1RAB9A
SCHEMBL1042627 0.65 HSD17B1 (0.48) HTTMAPTESR1ESR2GAA
SCHEMBL1460907 0.65 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL2784971 0.64 GAA (0.46) SMN1; SMN2NPC1RAB9APOLBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
CN-101479258-A Thiazolyl urea derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2009-07-08 CN disclosed
CN-101374823-A Organic compounds NOVARTIS AG (CH) 2009-02-25 CN disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 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-20100120865-A1 Organic compounds PIK3C3, PIK3R3, PIK3R4 ALDH1A1 3211/4885SMN1; SMN2 4326/4885HTT 4504/4885
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD ALDH1A1 3448/4885SMN1; SMN2 3335/4885HTT 4262/4885

“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.