SCHEMBL470816

SCHEMBL470816

NCC1(N2CCCCC2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
RAD52 P43351 1/20 0.36
MEN1 O00255 2/20 0.33
SIGMAR1 Q99720 1/20 0.31
MC4R P32245 1/20 0.31
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL553125 0.95 KMT2A (0.36) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL31441143 0.95 KMT2A (0.36) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL3930544 0.95 KMT2A (0.36) KMT2AGAARAD52MEN1SIGMAR1
Hydrochloric Acid SCHEMBL1828960 0.93 OPRM1 (0.35) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL25165704 0.92 KMT2A (0.37) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL30699749 0.92 GAA (0.37) KMT2AGAARAD52
SCHEMBL8265735 0.92 KMT2A (0.37) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL16757065 0.90 KMT2A (0.36) KMT2AGAARAD52MEN1SIGMAR1
SCHEMBL4590548 0.90 GAA (0.38) KMT2AGAARAD52
SCHEMBL14247497 0.79 GAA (0.37) KMT2AGAARAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
CN-103097383-B Pyrazoloquinoline compounds ASTELLAS PHARMA INC. (JP) 2015-09-16 CN disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
US-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-08-29 US disclosed
EP-2615089-A1 PYRAZOLOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 EP disclosed
CN-103097383-A Pyrazoloquinoline compounds ASTELLAS PHARMA INC 2013-05-08 CN disclosed
WO-2012033144-A1 PYRAZOLOQUINOLINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 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-20130225553-A1 PYRAZOLOQUINOLINE COMPOUND PDE9A, PDE5A, PDE2A KMT2A 2716/4885GAA 54/4885RAD52 3916/4885

“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.