SCHEMBL17027901

SCHEMBL17027901

Brc1cccc(-c2cnc(-c3cccc(Br)c3)cn2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
METAP2 P50579 1/20 0.58
HSD17B1 P14061 1/20 0.57
HSD17B2 P37059 1/20 0.57
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HK1 P19367 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
GABRG2 P18507 4/20 0.50
GABRB3 P28472 4/20 0.50
GABRA5 P31644 4/20 0.50
GABRA3 P34903 4/20 0.50
GABRA1 P14867 3/20 0.50
BIRC5 O15392 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HRH1 P35367 1/20 0.46
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL22053018 0.89 IDO1 (0.49) IDO1METAP2HSD17B1HSD17B2RAB9A
SCHEMBL1925054 0.85 IDO1 (0.53) IDO1METAP2HSD17B1HSD17B2RAB9A
SCHEMBL27614819 0.84 IDO1 (0.51) IDO1METAP2HSD17B1HSD17B2RAB9A
SCHEMBL1926737 0.84 IDO1 (0.51) IDO1METAP2HSD17B1HSD17B2RAB9A
SCHEMBL27263917 0.82 IDO1 (0.50) IDO1METAP2RAB9AALDH1A1MAPT
SCHEMBL17413779 0.81 BIRC5 (0.54) IDO1METAP2RAB9AALDH1A1MAPT
SCHEMBL13799166 0.81 IDO1 (0.49) IDO1METAP2RAB9AALDH1A1MAPT
SCHEMBL22660886 0.81 HSD17B1 (0.54) IDO1METAP2HSD17B1HSD17B2RAB9A
SCHEMBL2482706 0.81 CYP3A4 (0.54) IDO1METAP2HSD17B1HSD17B2RAB9A
SCHEMBL7202685 0.79 NPC1 (0.66) RAB9AALDH1A1MAPTBIRC5MEN1

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-9932353-B2 Imidazopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-04-03 US disclosed
US-20170015681-A1 IMIDAZOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2017-01-19 US disclosed
EP-3116879-A1 IMIDAZOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-01-18 EP disclosed
WO-2015126758-A1 IMIDAZOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO 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-20170015681-A1 IMIDAZOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, TYMP, MAVS IDO1 414/4885METAP2 2650/4885HSD17B1 3249/4885

“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.