SCHEMBL18560728

SCHEMBL18560728

COC(=O)c1cc(-c2ccc(NC(=O)c3nc(N)cn3C)cc2)cn1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 8/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MAPT P10636 3/20 0.39
PTPN1 P18031 1/20 0.38
BACE1 P56817 3/20 0.38
PLAT P00750 3/20 0.38
PLG P00747 2/20 0.38
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Hydrochloric Acid SCHEMBL18528304 0.99 PLAU (0.39) PLAUCCNCCDK8MAPTPTPN1
SCHEMBL22575549 0.89 CCNC (0.40) CCNCCDK8PTPN1BACE1IKBKE
Hydrochloric Acid SCHEMBL19739360 0.88 CCNC (0.40) CCNCCDK8PTPN1BACE1RXFP1
SCHEMBL16710927 0.88 MAPT (0.42) PLAUCCNCCDK8MAPTPTPN1
SCHEMBL19753939 0.87 BACE1 (0.35) CCNCCDK8MAPTBACE1RXFP1
Hydrochloric Acid SCHEMBL19739172 0.86 P2RY12 (0.34) CCNCCDK8MAPTBACE1RXFP1
SCHEMBL6430445 0.86 P2RY12 (0.39) MAPTBACE1PKM
SCHEMBL16708660 0.85 MCHR1 (0.39) PLAUCCNCCDK8MAPTPTPN1
SCHEMBL18541912 0.85 MAPT (0.38) PLAUCCNCCDK8MAPTPTPN1
SCHEMBL15529221 0.82 PLAU (0.45) PLAUCCNCCDK8MAPTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-22 US disclosed
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US disclosed
EP-2855482-B1 PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2017-03-01 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 (3 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-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF PLAU 3368/4885CCNC 172/4885CDK8 231/4885
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF PLAU 3368/4885CCNC 172/4885CDK8 231/4885
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF PLAU 3368/4885CCNC 172/4885CDK8 231/4885

“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.