SCHEMBL18173865

SCHEMBL18173865

[N-]=[N+]=C1CCc2ccccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.52
▸ MAPK13 O15264 1/20 0.52
▸ MAPK12 P53778 1/20 0.52
▸ MAPK11 Q15759 1/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ AHR P35869 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HK1 P19367 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GALK1 P51570 1/20 0.39

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
SCHEMBL407439 0.78 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13337401 0.76 NPC1 (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6469101 0.70 NPC1 (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4861947 0.69 MAPT (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL10032 0.68 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL134599 0.68 NPC1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL88725 0.68 MEN1 (0.65) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3260854 0.68 NPC1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8549657 0.68 NPC1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4227502 0.68 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14

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 10 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 claimed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 — — US claimed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — US claimed
EP-3286166-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 — — EP claimed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 — — WO claimed
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
EP-3286166-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 — — EP disclosed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 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 (2 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 209/4885MAPK13 2996/4885MAPK12 3188/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885MAPK13 2996/4885MAPK12 3188/4885

“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.

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