SCHEMBL165300

SCHEMBL165300

CNN=Cc1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 1/20 0.59
MAOA P21397 1/20 0.59
GAA P10253 6/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 6/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 4/20 0.51
MEN1 O00255 4/20 0.51
PKM P14618 1/20 0.51
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50

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
SCHEMBL165299 1.00 CYP1A2 (0.61) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL12780080 1.00 CYP1A2 (0.61) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL16609588 0.84 KDM4E (0.68) CYP1A2KMT2ASMN1; SMN2MAOAGAA
SCHEMBL16566653 0.80 CYP1A2 (0.57) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL22925135 0.79 CYP1B1 (0.52) CYP1A2KMT2APOLBGAAKDM4E
SCHEMBL22925137 0.79 LMNA (0.62) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL20529326 0.78 GAA (0.49) KMT2ASMN1; SMN2POLBGAAKDM4E
SCHEMBL269159 0.78 GRIN2D (0.68) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL11776228 0.78 GRIN2D (0.68) CYP1A2KMT2ASMN1; SMN2POLBMAOA
SCHEMBL17560844 0.77 CYP1A2 (0.78) CYP1A2KMT2ASMN1; SMN2POLBMAOA

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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-4000130-A INDOLE DYES, POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 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 (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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 CYP1A2 921/4885KMT2A 610/4885SMN1; SMN2 3140/4885

“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.