SCHEMBL6522904

SCHEMBL6522904

Cc1n[nH]c2c1c(=O)n(CCN1CCOCC1)c1ccccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
CNR2 P34972 3/20 0.45
CNR1 P21554 2/20 0.45
ABCB1 P08183 2/20 0.44

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
SCHEMBL6514910 0.81 CHEK1 (0.49) TSHRALDH1A1POLBLMNA
SCHEMBL6518602 0.81 AURKA (0.41) GAATSHRALDH1A1MEN1KMT2A
SCHEMBL21067780 0.80 CYP1A2 (0.48) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6523698 0.79 TSHR (0.47) TSHRALDH1A1POLBLMNA
SCHEMBL6508661 0.79 TOP2A (0.53) SMN1; SMN2
SCHEMBL6515436 0.79 CHEK1 (0.51) GAAALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL6518743 0.78 TOP2A (0.52) SMN1; SMN2
SCHEMBL6519265 0.77 HTR7 (0.47) TSHRALDH1A1
SCHEMBL6514357 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL6521770 0.75 HDAC3 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 GAA 2750/4885TSHR 4004/4885ALDH1A1 4635/4885

“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.