SCHEMBL2808085

SCHEMBL2808085

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NC5Cc6ccccc6C5)nc2c43)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM1A O60341 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
SIGMAR1 Q99720 3/20 0.37
POLB P06746 1/20 0.37
P2RX7 Q99572 1/20 0.37
RORC P51449 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36

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
SCHEMBL2809610 0.91 ACHE (0.44) ACHEBACE1KMT2AMEN1KDM1A
SCHEMBL2812074 0.90 ACHE (0.39) ACHEBACE1KMT2AMEN1KDM1A
SCHEMBL2808272 0.87 ACHE (0.46) ACHEBACE1KMT2AMEN1EHMT2
SCHEMBL2814452 0.84 SMN1; SMN2 (0.41) ACHEBACE1KMT2AMEN1EHMT2
SCHEMBL2812076 0.83 ACHE (0.38) ACHEBACE1KMT2AMEN1KDM1A
SCHEMBL2814133 0.83 ACHE (0.43) ACHEBACE1KMT2AMEN1KDM1A
SCHEMBL2814240 0.82 ACHE (0.39) ACHEBACE1KMT2AMEN1KDM1A
SCHEMBL2809346 0.82 SIGMAR1 (0.38) ACHEBACE1KMT2AMEN1SIGMAR1
SCHEMBL2812371 0.82 KMT2A (0.39) ACHEBACE1KMT2AMEN1SIGMAR1
SCHEMBL2816435 0.82 ACHE (0.44) ACHEBACE1KMT2AMEN1SIGMAR1

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 ACHE 4402/4885BACE1 3588/4885KMT2A 2836/4885

“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.