SCHEMBL2808261

SCHEMBL2808261

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(N5CCN(c6ccccc6OC)CC5)nc2c34)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SLC2A1 P11166 1/20 0.41
SLC2A2 P11168 1/20 0.41
SLC2A3 P11169 1/20 0.41
MAPK1 P28482 1/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HTR2A P28223 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2815919 0.90 TSHR (0.43) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2809473 0.89 TSHR (0.42) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2814404 0.89 HRH4 (0.44) TSHRLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL2811750 0.88 HTT (0.47) TSHRLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL538222 0.87 ALDH1A1 (0.42) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2814817 0.86 KDM4E (0.42) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2808405 0.85 CFTR (0.49) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2809524 0.83 ADORA2A (0.40) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2813116 0.82 ALDH1A1 (0.47) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2809932 0.81 ALDH1A1 (0.42) TSHRLMNAMAPTALDH1A1SMN1; SMN2

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 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.