SCHEMBL2812231

SCHEMBL2812231

COc1ccc(CN2CCC3NNc4nc(NC5CCN(C)CC5)nc2c43)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
ACHE P22303 5/20 0.39
BACE1 P56817 1/20 0.39
KCNH2 Q12809 2/20 0.37
EHMT1 Q9H9B1 1/20 0.36
SSTR5 P35346 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MLNR O43193 1/20 0.35
CACNA1F O60840 1/20 0.35
EED O75530 1/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2814064 0.92 PDE5A (0.40) JAK2JAK1JAK3ACHEBACE1
SCHEMBL2812076 0.89 ACHE (0.38) EHMT2KDM1ARCOR1ACHEBACE1
SCHEMBL2811978 0.83 JAK2 (0.45) KDM1AJAK2MEN1KMT2AEGFR
SCHEMBL537584 0.83 ACHE (0.45) EHMT2ACHEBACE1MEN1KMT2A
SCHEMBL2813447 0.83 MAPT (0.41) ACHEBACE1MEN1KMT2ALMNA
SCHEMBL2812933 0.83 CLK4 (0.41) ACHEBACE1MEN1KMT2ALMNA
SCHEMBL2810273 0.80 ADORA3 (0.41) ACHEBACE1MEN1KMT2ACYP1A2
SCHEMBL2813941 0.80 ADORA3 (0.41) ACHEBACE1MEN1KMT2ACYP1A2
SCHEMBL538655 0.80 PIK3CA (0.45) EHMT2KDM1ARCOR1BACE1MEN1
SCHEMBL537858 0.80 PTGIR (0.39) KMT2ALMNACYP1A2GAAMAPT

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 EHMT2 3441/4885KDM1A 3360/4885RCOR1 3418/4885

“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.