SCHEMBL18179948

SCHEMBL18179948

Cc1nc2c(F)c(N)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
BACE1 P56817 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
ILK Q13418 1/20 0.33

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
SCHEMBL28309940 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1TLR8
SCHEMBL15893393 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL15880890 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL617951 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5782642 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1TLR8
SCHEMBL12930243 0.77 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL15880672 0.75 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL615621 0.73 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL534640 0.73 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL906904 0.73 TLR8 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 WO disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 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 (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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E NPC1 273/4885RAB9A 1767/4885SMN1; SMN2 2518/4885

“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.