SCHEMBL3308119

SCHEMBL3308119

CC1(C)OB(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
MAPT P10636 1/20 0.61
KCNK3 O14649 2/20 0.60
KCNK9 Q9NPC2 1/20 0.60
LMNA P02545 1/20 0.60
PTGS1 P23219 2/20 0.58
P2RX1 P51575 1/20 0.56
RXFP1 Q9HBX9 3/20 0.54
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
CSF1R P07333 2/20 0.51
BRAF P15056 2/20 0.51
ALDH1A1 P00352 1/20 0.51
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNE1 P15382 1/20 0.50

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
SCHEMBL25272009 0.90 LMNA (0.61) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL1329990 0.85 KMT2A (0.58) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL12350704 0.84 KCNK3 (0.58) MEN1KMT2ARAB9AKCNK3KCNK9
SCHEMBL2887561 0.84 BRAF (0.58) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL29536884 0.84 BRAF (0.58) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL5489272 0.84 MEN1 (0.55) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL26075095 0.83 CBLB (0.49) MEN1KMT2ARXFP1TSHRBRAF
SCHEMBL104107 0.82 KCNK9 (0.60) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL14568092 0.82 HDAC1 (0.52) MEN1KMT2ARAB9AKCNK3KCNK9
SCHEMBL12491436 0.81 MTOR (0.57) MEN1KMT2AHTTRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US claimed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US claimed
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 US disclosed
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2017-03-30 US disclosed
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 US disclosed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 US disclosed
US-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 US disclosed
US-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 US disclosed
US-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US 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 (7 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-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 MEN1 4842/4885KMT2A 2982/4885HTT 4540/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 MEN1 2160/4885KMT2A 861/4885HTT 3366/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 MEN1 4344/4885KMT2A 1394/4885HTT 4320/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 MEN1 4344/4885KMT2A 1394/4885HTT 4320/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 MEN1 4344/4885KMT2A 1394/4885HTT 4320/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 MEN1 2160/4885KMT2A 861/4885HTT 3366/4885
US-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER EPHA4, EPHA1, ERBB4 MEN1 2411/4885KMT2A 2092/4885HTT 393/4885

“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.