SCHEMBL14485093

SCHEMBL14485093

COc1ccc(-c2ccnnc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ HPGD P15428 4/20 0.43
▸ TP53 P04637 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ SQOR Q9Y6N5 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41

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
SCHEMBL30143359 0.78 ALDH1A1 (0.42) KDM4EKMT2AMEN1NPSR1CYP1A2
SCHEMBL14102891 0.77 CLK4 (0.51) KDM4EKMT2AMEN1NPSR1RXFP1
SCHEMBL14484701 0.75 MAPT (0.46) KDM4EKMT2ANPSR1MAPTTP53
SCHEMBL29512208 0.72 USP8 (0.40) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL5224988 0.71 ALDH1A1 (0.54) KDM4EKMT2AMEN1NPSR1MAPT
SCHEMBL31071483 0.71 RPS6KA3 (0.49) KDM4EKMT2AMEN1NPSR1RXFP1
Hydrochloric Acid SCHEMBL30209394 0.70 USP8 (0.39) KDM4EKMT2AMEN1CYP1A2MAPT
SCHEMBL12874583 0.70 KDM4E (0.63) KDM4EKMT2AMEN1NPSR1RXFP1
SCHEMBL7574828 0.70 KMT2A (0.55) KDM4EKMT2AMEN1NPSR1RXFP1
SCHEMBL19243792 0.69 SLC22A12 (0.50) KDM4EKMT2AMEN1NPSR1RXFP1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 — — EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — 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 (5 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KDM4E 1590/4885KMT2A 2804/4885MEN1 2645/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN KDM4E 1590/4885KMT2A 2804/4885MEN1 2645/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KDM4E 1590/4885KMT2A 2804/4885MEN1 2645/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885KMT2A 2804/4885MEN1 2645/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885KMT2A 2804/4885MEN1 2645/4885

“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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