SCHEMBL17007995

SCHEMBL17007995

COC(CBr)(OC)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
MAOB P27338 6/20 0.36
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
TAAR1 Q96RJ0 3/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL5598875 0.80 IDO1 (0.42) KIF11MAPK1MAOBIDO1TAAR1
SCHEMBL14650861 0.75 ALDH1A1 (0.46) CA1CA2CA5ACA9KIF11
SCHEMBL28659306 0.75 CA1 (0.50) CA1CA2CA5ACA9KIF11
SCHEMBL3459530 0.74 CA1 (0.44) CA1CA2CA5ACA9KIF11
SCHEMBL6165748 0.74 LOXL2 (0.49) CA1CA2CA9ALDH1A1MAPK1
SCHEMBL6204840 0.73 CA1 (0.41) CA1CA2CA5ACA9KIF11
Methoxymethane SCHEMBL27841631 0.72 MEN1 (0.45) CA1CA2CA5ACA9KIF11
SCHEMBL25997928 0.71 CA1 (0.42) CA1CA2CA5ACA9KIF11
SCHEMBL1864333 0.70 CA1 (0.39) CA1CA2CA5ACA9KIF11
SCHEMBL20707128 0.70 ALDH1A1 (0.44) CA1CA2CA5ACA9KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138253-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-11-27 US disclosed
US-10065953-B2 Imidazo[1,2-A]pyridine derivatives for use as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-09-04 US disclosed
US-20180222901-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-08-09 US disclosed
US-20180222901-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-08-09 US disclosed
US-20180222901-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-08-09 US disclosed
EP-3186254-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-07-05 EP disclosed
WO-2017025913-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-02-16 WO disclosed
EP-3114129-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-01-11 EP disclosed
US-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
WO-2016033009-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-03 WO disclosed
WO-2016033009-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-03 WO disclosed
WO-2015126751-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
WO-2015126751-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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 (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-20180222901-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION MAVS, EIF2AK2, ITPA CA1 4872/4885CA2 4522/4885CA5A 3272/4885
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, MAVS, TYMP CA1 4875/4885CA2 4780/4885CA5A 3991/4885
US-10065953-B2 Imidazo[1,2-A]pyridine derivatives for use as inhibitors of human immunodeficiency virus replication MAVS, EIF2AK2, ITPA CA1 4872/4885CA2 4522/4885CA5A 3272/4885
US-10138253-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication TYMP, TYMS, CCNI CA1 4755/4885CA2 4142/4885CA5A 4224/4885

“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.