SCHEMBL14484609

SCHEMBL14484609

COc1ccc(-c2cccnc2C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
SYK P43405 3/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
NFE2L2 Q16236 2/20 0.45
ABL1 P00519 1/20 0.45
ABCB1 P08183 1/20 0.45
BCR P11274 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CYP2A6 P11509 1/20 0.43
KCNA5 P22460 1/20 0.43
PTPN1 P18031 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
AURKA O14965 1/20 0.42

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
SCHEMBL28337457 0.86 ABL1 (0.47) CLK4NFE2L2ABL1ABCB1BCR
SCHEMBL7570350 0.83 DYRK1A (0.55) CLK4ALDH1A1KDM4EHPGDNFE2L2
SCHEMBL2083783 0.81 COMT (0.44) ALDH1A1KDM4ESYKCYP2A6RAB9A
SCHEMBL11617705 0.80 KMT2A (0.46) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL2083077 0.79 ALDH1A1 (0.42) ALDH1A1HPGDABL1CYP2A6MAPT
SCHEMBL14829253 0.78 CLK4 (0.49) CLK4ALDH1A1KDM4EHPGDSYK
SCHEMBL24742077 0.78 NFE2L2 (0.42) NFE2L2RAB9ANPC1MAPT
SCHEMBL10119498 0.78 TDP1 (0.47) ALDH1A1KDM4ENFE2L2RAB9ANPC1
SCHEMBL28753109 0.78 ABL1 (0.40) KDM4EABL1ABCB1BCRPTPN1
SCHEMBL30069637 0.78 NFE2L2 (0.42) NFE2L2RAB9ANPC1MAPT

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 27 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
CN-112852770-B Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction 中国科学院天津工业生物技术研究所 2022-01-07 CN disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
CN-112852770-A Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction 中国科学院天津工业生物技术研究所 2021-05-28 CN 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-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
CN-103570683-B Polysubstituted aminated compounds and its preparation method and application 中国科学院上海药物研究所 2018-04-17 CN 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
CN-102675305-B Imidazopyridine compounds, as well as preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2014-11-12 CN 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
CN-102675305-A Imidazopyridine compounds, as well as preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2012-09-19 CN 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 CLK4 4388/4885ALDH1A1 649/4885KDM4E 1590/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CLK4 4388/4885ALDH1A1 649/4885KDM4E 1590/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CLK4 4388/4885ALDH1A1 649/4885KDM4E 1590/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CLK4 4388/4885ALDH1A1 649/4885KDM4E 1590/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CLK4 4388/4885ALDH1A1 649/4885KDM4E 1590/4885

“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.