SCHEMBL5437266

SCHEMBL5437266

Cc1nc(Nc2ccc(C(C)C)cc2Br)nc(Cl)c1CCCl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
IGF1R P08069 1/20 0.33
CRHR1 P34998 8/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7678043 0.76 MAPT (0.59) NFKB1ALDH1A1MAPTCRHR1
SCHEMBL14347187 0.75 RXFP1 (0.39) ALDH1A1MAPTCRHR1SMN1; SMN2
SCHEMBL7678044 0.71 MEN1 (0.40) ALDH1A1MAPTIGF1RCRHR1SMN1; SMN2
SCHEMBL5496929 0.70 CRHR1 (0.40) MAPTCRHR1SMN1; SMN2
SCHEMBL7680556 0.69 MAPT (0.43) ALDH1A1MAPTIGF1RCRHR1SMN1; SMN2
SCHEMBL7687760 0.69 NPC1 (0.39) NFKB1ALDH1A1MAPTIGF1RCRHR1
SCHEMBL5492382 0.68 CRHR1 (0.36) CRHR1
SCHEMBL6094653 0.68 WDR5 (0.40) CRHR1
SCHEMBL7683030 0.67 ALDH1A1 (0.41) ALDH1A1MAPTCRHR1
SCHEMBL5434555 0.67 MAPT (0.46) ALDH1A1MAPTCRHR1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270588-A1 Pyrrolopyrimidine Derivatives TAISHO PHARMACEUTICAL CO., LTD. 2007-11-22 US disclosed
US-20070270588-A1 Pyrrolopyrimidine Derivatives TAISHO PHARMACEUTICAL CO., LTD. 2007-11-22 US disclosed
US-20070270588-A1 Pyrrolopyrimidine Derivatives TAISHO PHARMACEUTICAL CO., LTD. 2007-11-22 US disclosed
EP-1725562-A1 PYRROLOPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-11-29 EP disclosed
WO-2005085253-A1 PYRROLOPYRIMIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-15 WO 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-20070270588-A1 Pyrrolopyrimidine Derivatives HRH2, ALPI, HRH1 NFKB1 1942/4885ALDH1A1 3031/4885MAPT 1087/4885

“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.