SCHEMBL2808265

SCHEMBL2808265

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(N5CCN(c6ccccc6OC)CC5)nc2c43)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NTSR1 P30989 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
MAPK1 P28482 1/20 0.40
HTR1A P08908 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A2 P11168 1/20 0.39
SLC2A3 P11169 1/20 0.39

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
SCHEMBL2815921 0.90 TSHR (0.42) TSHRLMNAMAPTALDH1A1NTSR1
SCHEMBL2809475 0.90 DNMT3A (0.47) TSHRLMNAMAPTALDH1A1NTSR1
SCHEMBL2814408 0.90 HRH4 (0.43)
SCHEMBL2811753 0.89 EHMT2 (0.42) SMN1; SMN2MEN1KMT2ANPSR1PKM
SCHEMBL538223 0.87 MAPT (0.41) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2814820 0.86 DNMT3A (0.46) TSHRMAPTALDH1A1SMN1; SMN2DRD4
SCHEMBL2808410 0.86 HTR2A (0.45) TSHRLMNAALDH1A1NTSR1SMN1; SMN2
SCHEMBL2809526 0.84 TSHR (0.40) TSHRLMNAMAPTALDH1A1NTSR1
SCHEMBL2813121 0.83 POLB (0.47) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2813884 0.83 HRH3 (0.44) ALDH1A1MEN1KMT2ANPSR1DRD2

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 TSHR 3555/4885LMNA 2815/4885MAPT 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.