SCHEMBL17628121

SCHEMBL17628121

COc1cc2nc(Cl)nc(N3CCC[C@@H](N)C3)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
ALDH1A1 P00352 2/20 0.70
ADRA1D P25100 2/20 0.64
ADRA1B P35368 2/20 0.64
ADRA1A P35348 1/20 0.64
EHMT2 Q96KQ7 1/20 0.47
CYP3A4 P08684 1/20 0.47
DPP4 P27487 1/20 0.47
NTSR1 P30989 7/20 0.47
KDM4E B2RXH2 1/20 0.46
STAT6 P42226 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE3A Q14432 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
SPIN1 Q9Y657 2/20 0.43
MAPT P10636 1/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT5A Q9NQR1 1/20 0.43

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
SCHEMBL17628123 1.00 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1ADRA1DADRA1BADRA1A
SCHEMBL25224897 0.86 ADRA1D (0.73) SMN1; SMN2ALDH1A1ADRA1DADRA1BADRA1A
SCHEMBL17628092 0.84 HRH4 (0.55) SMN1; SMN2ALDH1A1ADRA1DADRA1BADRA1A
SCHEMBL17628089 0.84 HRH4 (0.55) SMN1; SMN2ALDH1A1ADRA1DADRA1BADRA1A
SCHEMBL4092118 0.84 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1EHMT2NTSR1KDM4E
SCHEMBL30455285 0.84 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1EHMT2NTSR1KDM4E
SCHEMBL3318391 0.82 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1EHMT2NTSR1KDM4E
SCHEMBL17627945 0.80 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1ADRA1DADRA1BADRA1A
SCHEMBL17627947 0.80 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1ADRA1DADRA1BADRA1A
SCHEMBL17627954 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1EHMT2NTSR1PDE3A

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-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORPORATION (KR) 2017-06-01 US disclosed
EP-3006439-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR Yuhan Corporation (KR) 2016-04-13 EP disclosed
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORP (KR) 2016-03-31 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 (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-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 SMN1; SMN2 3806/4885ALDH1A1 3402/4885ADRA1D 569/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 SMN1; SMN2 3806/4885ALDH1A1 3402/4885ADRA1D 569/4885

“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.