SCHEMBL2812157

SCHEMBL2812157

COc1ccc(CN2CCC3NN(C)c4nc(NCCNC(C)=O)nc2c43)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.38
CNR2 P34972 1/20 0.36
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
MAPK1 P28482 1/20 0.36
EHMT2 Q96KQ7 6/20 0.35
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
EHMT1 Q9H9B1 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
SCHEMBL2813907 0.88 HDAC3 (0.41) SMN1; SMN2CNR2EHMT2HDAC3HDAC4
SCHEMBL2814492 0.87 TSHR (0.37) SMN1; SMN2MAPK1TDP1CYP2D6CYP3A4
SCHEMBL2809955 0.84 MAPT (0.37) SMN1; SMN2ALOX15MAPK1EHMT2TDP1
SCHEMBL2809538 0.83 EHMT2 (0.41) SMN1; SMN2CNR2EHMT2CYP2D6DRD4
SCHEMBL2816723 0.83 GBA1 (0.34) ALOX15CNR2MMP1MMP13ALDH1A1
SCHEMBL2812798 0.83 ACHE (0.46) EHMT2
SCHEMBL2809433 0.83 CXCR3 (0.38) DRD4KDM4EALDH1A1
SCHEMBL2809870 0.83 PIK3CA (0.46) SMN1; SMN2MAPK1EHMT2KDM4EALDH1A1
SCHEMBL2810452 0.82 NR1I3 (0.38) SMN1; SMN2ALOX15MAPK1TDP1CYP3A4
SCHEMBL2810912 0.82 ADORA3 (0.42) SMN1; SMN2EHMT2CYP3A4CYP2C19KDM4E

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 SMN1; SMN2 2524/4885ALOX15 1732/4885CNR2 1666/4885

“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.