SCHEMBL3111817

SCHEMBL3111817

c1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PIK3CD O00329 2/20 0.46
PIK3R1 P27986 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL3105981 0.78 KMT2A (0.49) SIGMAR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3117241 0.78 KMT2A (0.46) SIGMAR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL13439842 0.78 KMT2A (0.54) SIGMAR1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL11929839 0.76 KMT2A (0.47) SIGMAR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3106043 0.75 KMO (0.46) PIK3CAKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6492914 0.74 CA12 (0.43) CA12CA1CA2CA9PIK3CD
SCHEMBL6492920 0.74 CTSK (0.44) CA12CA1CA2CA9PIK3CD
SCHEMBL3232359 0.74 HTT (0.52) SIGMAR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL12301540 0.74 LTA4H (0.56) SIGMAR1KMT2AHTR2BNPC1RAB9A
SCHEMBL29985661 0.74 LTA4H (0.56) SIGMAR1KMT2AHTR2BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG SIGMAR1 2271/4885CA12 403/4885CA1 2562/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG SIGMAR1 2271/4885CA12 403/4885CA1 2562/4885

“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.