SCHEMBL7751102

SCHEMBL7751102

CC(C)(C)NCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
RAB9A P51151 5/20 0.59
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 4/20 0.59
GAA P10253 3/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 1/20 0.59
POLB P06746 2/20 0.55
DPP4 P27487 2/20 0.53
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.51
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47

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
SCHEMBL8365566 0.85 DPP4 (0.58) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL13602607 0.84 KMT2A (0.60) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL13649701 0.84 SMN1; SMN2 (0.58) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL7026260 0.82 DPP4 (0.56) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL13233272 0.82 KMT2A (0.64) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5650522 0.82 SMN1; SMN2 (0.60) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL3937141 0.80 MAPT (0.57) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL14261145 0.80 MAPT (0.59) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5099213 0.79 SMN1; SMN2 (0.57) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL1146057 0.79 SMN1; SMN2 (0.60) MAPTRAB9AKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 US disclosed
US-7288571-B2 Thyroid receptor ligands and method II KARO BIO AB (SE) 2007-10-30 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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 (4 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A MAPT 3880/4885RAB9A 2270/4885KMT2A 2686/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 MAPT 3348/4885RAB9A 1426/4885KMT2A 1854/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MAPT 3985/4885RAB9A 1884/4885KMT2A 2532/4885
US-20080058383-A1 Androgen Receptor Modulators NR5A1, ESRRA, AR MAPT 3258/4885RAB9A 3782/4885KMT2A 3314/4885

“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.