SCHEMBL4101021

SCHEMBL4101021

COc1ccc(Cn2ncc3nc(Cl)nc(Cl)c32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.50
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48
MCHR1 Q99705 1/20 0.46
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
DCTPP1 Q9H773 2/20 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
SCHEMBL17025310 0.88 NPBWR1 (0.49) NPBWR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10195530 0.87 NPBWR1 (0.51) NPBWR1MCHR1ALDH1A1
SCHEMBL14320783 0.83 NPBWR1 (0.52) NPBWR1MCHR1GRIN1GRIN2BKDM4E
SCHEMBL4109782 0.77 NPBWR1 (0.46) NPBWR1MCHR1GRIN1GRIN2BDCTPP1
SCHEMBL4102442 0.77 GRIN1 (0.39) NPBWR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20996061 0.77 MAPT (0.41) DCTPP1KDM4EALDH1A1MAPTALOX15
SCHEMBL11936663 0.76 MEN1 (0.44) NPBWR1MCHR1GRIN1GRIN2BPKM
SCHEMBL21383800 0.75 NPBWR1 (0.49) NPBWR1MCHR1DCTPP1PDE1APDE1B
SCHEMBL30529333 0.75 NPBWR1 (0.49) NPBWR1MCHR1DCTPP1PDE1APDE1B
SCHEMBL22892720 0.74 NPBWR1 (0.51) NPBWR1MCHR1GRIN1GRIN2BDCTPP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-27 US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP 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 (2 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 NPBWR1 128/4885TUBB4A 4248/4885TUBB 4470/4885
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND HIF1AN, EGLN2, EGLN3 NPBWR1 3313/4885TUBB4A 3916/4885TUBB 4241/4885

“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.