SCHEMBL2815919

SCHEMBL2815919

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR2C P28335 1/20 0.43
LMNA P02545 1/20 0.43
SLC2A1 P11166 1/20 0.42
SLC2A2 P11168 1/20 0.42
SLC2A3 P11169 1/20 0.42
MAPK1 P28482 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41

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
SCHEMBL13145459 0.91 NPC1 (0.39) TSHRALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2808261 0.90 TSHR (0.45) TSHRMAPTALDH1A1LMNASLC2A1
SCHEMBL2812071 0.88 SMN1; SMN2 (0.43) TSHRMAPTALDH1A1HTR2CLMNA
SCHEMBL2809514 0.88 HTR6 (0.46) TSHRALDH1A1HTR2CMAPK1KMT2A
SCHEMBL2811678 0.86 CCNE2 (0.39) TSHRMAPTALDH1A1LMNAMAPK1
SCHEMBL2810425 0.85 SMN1; SMN2 (0.44) TSHRMAPTALDH1A1HTR2CLMNA
SCHEMBL2809527 0.84 MAPT (0.45) MAPTALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL2810400 0.84 CFTR (0.46) TSHRALDH1A1HTR2CDRD2KMT2A
SCHEMBL2809446 0.81 TSHR (0.38) TSHRALDH1A1LMNAPKMKDM4E
SCHEMBL2814404 0.80 HRH4 (0.44) TSHRALDH1A1LMNAMAPK1SMN1; 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 3555/4885MAPT 2947/4885ALDH1A1 924/4885

“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.