SCHEMBL912707

SCHEMBL912707

CN1N=C(Cl)C=C(N2CCOCC2)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 6/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1434515 0.83 MAPT (0.34) POLBKMT2AMAPTCYP1A2CYP2D6
SCHEMBL19027031 0.71 MAPT (0.35) POLBKMT2AMAPTCYP1A2CYP2D6
SCHEMBL9483647 0.67 KDM4E (0.34) POLBMAPTTP53SMN1; SMN2GAA
SCHEMBL8400813 0.65 POLB (0.36) POLBALDH1A1
SCHEMBL9445300 0.64 CYP1A2 (0.32) MAPTCYP1A2CYP2D6
SCHEMBL28205086 0.63 MAPT (0.35) KMT2AMAPTCYP1A2CYP2D6TP53
SCHEMBL3701153 0.62 LMNA (0.42) POLBKMT2ATP53ALDH1A1CYP2C19
SCHEMBL24385864 0.61 KMT2A (0.33) KMT2AMAPTCYP1A2CYP2D6TP53
SCHEMBL17884206 0.61 KMT2A (0.46) POLBKMT2AMAPTCYP1A2CYP2D6
SCHEMBL28091427 0.61 KMT2A (0.36) POLBKMT2AMAPTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872005-B2 2-substituted heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-01-18 — — US disclosed
EP-1765325-A4 2-SUBSTITUTED HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-08-12 — — EP disclosed
EP-1765325-A2 2-SUBSTITUTED HETEROARYL COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-03-28 — — EP disclosed
US-20060063739-A1 2-Substituted heteroaryl compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-03-23 — — US disclosed
WO-2006007532-A2 2-SUBSTITUTED HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-01-19 — — WO 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-20060063739-A1 2-Substituted heteroaryl compounds IL2, IL4, IL2RA POLB 3875/4885KMT2A 3580/4885MAPT 1171/4885

“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.

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