SCHEMBL20445815

SCHEMBL20445815

C[C@@H](NCc1ncc2cc(Br)ccc2n1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
ACACB O00763 1/20 0.37
HTT P42858 1/20 0.37
CASR P41180 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
RPS6KB1 P23443 4/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL20445853 0.78 RPS6KB1 (0.55) RPS6KB1
SCHEMBL20445851 0.78 RPS6KB1 (0.55) RPS6KB1
SCHEMBL18171879 0.78 LMNA (0.49) LMNAHTR7HTR6MEN1KMT2A
SCHEMBL10271490 0.72 BACE1 (0.42) LMNASMN1; SMN2ALDH1A1NPSR1ACACB
SCHEMBL20445817 0.69 RPS6KB1 (0.56) LMNASMN1; SMN2HTTRPS6KB1CHRM2
SCHEMBL20445816 0.69 RPS6KB1 (0.56) LMNASMN1; SMN2HTTRPS6KB1CHRM2
SCHEMBL23725966 0.69 BACE1 (0.42) LMNAALDH1A1ACACBHTTCYP1A2
SCHEMBL13041050 0.69 SMN1; SMN2 (0.70) LMNAHTR7HTR6MEN1KMT2A
SCHEMBL14592822 0.69 BACE1 (0.42) LMNAALDH1A1ACACBHTTCYP1A2
SCHEMBL3359720 0.68 CASR (0.56) LMNAHTR7HTR6MEN1KMT2A

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
EP-3356348-B1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2021-05-05 EP disclosed
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2020-08-04 US disclosed
US-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2019-09-26 US disclosed
US-10344033-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2019-07-09 US disclosed
US-20180370975-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2018-12-27 US disclosed
EP-3356348-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS Sentinel Oncology Limited (GB) 2018-08-08 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 (4 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-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS RPS6KA1, MTOR, RPTOR LMNA 4400/4885HTR7 1441/4885HTR6 1555/4885
US-20180370975-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS RPS6KA1, MTOR, RPTOR LMNA 4400/4885HTR7 1441/4885HTR6 1555/4885
US-10344033-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors RPS6KA1, MTOR, RPTOR LMNA 4400/4885HTR7 1441/4885HTR6 1555/4885
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors RPS6KA1, MTOR, RPTOR LMNA 4400/4885HTR7 1441/4885HTR6 1555/4885

“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.