SCHEMBL482150

SCHEMBL482150

CC(CN1CCOCC1)c1cnc(N)c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ LRRK2 Q5S007 5/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34

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
SCHEMBL29520057 0.71 SMN1; SMN2 (0.54) KMT2AALDH1A1SMN1; SMN2
SCHEMBL3950754 0.70 MAPK1 (0.38) KMT2AMCHR1LRRK2ALDH1A1USP2
SCHEMBL481743 0.69 SMN1; SMN2 (0.41) LRRK2PIK3CAMTORPIK3R1ALDH1A1
SCHEMBL18284913 0.67 MCHR1 (0.45) KMT2AMCHR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29335014 0.66 NOS3 (0.39) KMT2AALDH1A1
SCHEMBL5510459 0.64 ALDH1A1 (0.68) KMT2AALDH1A1LMNA
SCHEMBL16572388 0.64 ALDH1A1 (0.68) KMT2AALDH1A1LMNA
SCHEMBL4061177 0.64 L3MBTL1 (0.47) KMT2AMCHR1ALDH1A1SMN1; SMN2
SCHEMBL482329 0.63 KMT2A (0.38) KMT2APIK3CAMTORPIK3R1ALDH1A1
SCHEMBL11960352 0.63 HRH3 (0.53) KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 — — EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 — — US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 — — 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA KMT2A 762/4885MCHR1 4206/4885LRRK2 224/4885

“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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