SCHEMBL2812252

SCHEMBL2812252

c1ccc(CN2CCC3NNc4nc(NCC5CCCCC5)nc2c43)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.36
ACHE P22303 3/20 0.35
GRIN2B Q13224 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDC7 O00311 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
APP P05067 1/20 0.34
PDE5A O76074 2/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL2809589 1.00 CSNK2A1 (0.36) CSNK2A1BCDIN3DACHEGRIN2BKDM4E
SCHEMBL2811945 0.88 ACHE (0.38) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL537948 0.84 KDM1A (0.46)
SCHEMBL2812302 0.83 ACHE (0.37) ACHEKDM4EMEN1KMT2AALDH1A1
SCHEMBL2808281 0.83 MAPK1 (0.40) ACHEKDM4EMEN1KMT2AALDH1A1
SCHEMBL2809576 0.83 ROCK2 (0.37) ACHEAPP
SCHEMBL537894 0.82 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2TLR7PPARG
SCHEMBL2812997 0.82 FLT3 (0.36) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL2810284 0.82 OGA (0.40)
SCHEMBL2814513 0.82 CXCR4 (0.37) ACHEKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 CSNK2A1 2365/4885BCDIN3D 1422/4885ACHE 4402/4885

“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.