SCHEMBL2810448

SCHEMBL2810448

COc1ccc(CN2CCc3nn(C)c4nc(NCCc5ccc(Cl)c(Cl)c5)nc2c34)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 5/20 0.42
NR1I3 Q14994 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CLK4 Q9HAZ1 2/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 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 0.92 BCDIN3D (0.40) BCDIN3DMAPTLMNAMEN1KMT2A
SCHEMBL2809950 0.90 BCDIN3D (0.38) BCDIN3DMAPTLMNAMEN1KMT2A
SCHEMBL2812452 0.90 TP53 (0.41) BCDIN3DMAPTLMNAMEN1KMT2A
SCHEMBL2809628 0.88 CLPP (0.38) BCDIN3DNR1I3MAPTLMNAMEN1
SCHEMBL2809534 0.88 MAPT (0.40) BCDIN3DMAPTLMNAMEN1KMT2A
SCHEMBL2810910 0.86 ADORA3 (0.44) BCDIN3DMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2814364 0.85 OGA (0.38) BCDIN3DMEN1KMT2ASMN1; SMN2POLB
SCHEMBL13131652 0.84 SHMT2 (0.48) BCDIN3DMAPTMEN1KMT2AGAA
SCHEMBL2809862 0.83 PIK3CA (0.47) MAPTLMNAMEN1KMT2ATSHR
SCHEMBL13145613 0.82 BCDIN3D (0.35) BCDIN3DMAPTLMNAKMT2ATSHR

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 7 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
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 BCDIN3D 1422/4885NR1I3 2405/4885MAPT 2947/4885

“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.