SCHEMBL2809534

SCHEMBL2809534

COc1ccc(CN2CCc3nn(C)c4nc(NCCc5ccc(F)cc5)nc2c34)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR2 P34972 5/20 0.40
KCNH2 Q12809 2/20 0.39
CCR3 P51677 1/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
ACP1 P24666 1/20 0.37
BCDIN3D Q7Z5W3 1/20 0.37
HRH1 P35367 2/20 0.37
PIM1 P11309 1/20 0.37
MLNR O43193 1/20 0.37
CACNA1F O60840 1/20 0.37

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
SCHEMBL2814487 0.95 BCDIN3D (0.40) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL2809950 0.90 BCDIN3D (0.38) MAPTPOLBMEN1HTTKMT2A
SCHEMBL2810910 0.90 ADORA3 (0.44) MAPTPOLBKDM4EALDH1A1MEN1
SCHEMBL2816708 0.88 ACP1 (0.41) MAPTPOLBKDM4EALDH1A1CNR2
SCHEMBL2810448 0.88 BCDIN3D (0.42) MAPTPOLBMEN1HTTKMT2A
SCHEMBL2812452 0.88 TP53 (0.41) MAPTCNR2MEN1HTTKMT2A
SCHEMBL2814364 0.86 OGA (0.38) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL13131652 0.85 SHMT2 (0.48) MAPTKDM4EMEN1KMT2ABCDIN3D
SCHEMBL2812029 0.85 PDE5A (0.40) MAPTPOLBMEN1HTTKMT2A
SCHEMBL2809363 0.84 GRK6 (0.42) MAPTPOLBKDM4EALDH1A1CNR2

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 6 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 MAPT 2947/4885POLB 345/4885KDM4E 2749/4885

“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.