SCHEMBL16637809

SCHEMBL16637809

OCc1cnc(Cl)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDXK O00764 1/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
NOTUM Q6P988 3/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
KCNE1 P15382 2/20 0.34
KCNQ1 P51787 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
P2RX7 Q99572 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
JUN P05412 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 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
SCHEMBL17979054 0.85 RECQL (0.36) PDXKPIK3R1PIK3CANOTUMRECQL
SCHEMBL30031898 0.85 RECQL (0.36) PDXKPIK3R1PIK3CANOTUMRECQL
SCHEMBL18367360 0.82 AR (0.35) PDXKRECQLALDH1A1GAAHTT
SCHEMBL20457490 0.81 AKR1C3 (0.39) PIK3R1PIK3CAGAAKCNQ3KCNQ2
SCHEMBL16647335 0.79 KDM4E (0.39) PDXKNOTUMALDH1A1P2RX7NR1H2
SCHEMBL21598903 0.77 PIK3R1 (0.37) PIK3R1PIK3CAKCNQ3KCNQ2KCNE1
SCHEMBL16637276 0.77 TRPA1 (0.39) PIK3R1PIK3CAHTTAKR1C3AKR1C2
SCHEMBL29416192 0.76 PDXK (0.45) PDXKRECQLALDH1A1MAPT
SCHEMBL3840400 0.76 PIK3R1 (0.42) PIK3R1PIK3CANOTUMALDH1A1HTT
SCHEMBL903476 0.76 PDXK (0.45) PDXKRECQLALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-10-03 US disclosed
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 EP disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 CN disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
US-20160251332-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-01 US disclosed
US-20160251332-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-01 US disclosed
US-20160251332-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-01 US disclosed
EP-3060558-A1 PYRIDINYLIMIDAZOLONES AS HERBICIDES Syngenta Participations AG (CH) 2016-08-31 EP disclosed
EP-3054773-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-08-17 EP disclosed
WO-2015059262-A1 PYRIDINYLIMIDAZOLONES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-04-30 WO disclosed
WO-2015059262-A1 PYRIDINYLIMIDAZOLONES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-04-30 WO disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 WO disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 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 (4 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 PDXK 287/4885PIK3R1 574/4885PIK3CA 114/4885
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 PDXK 1154/4885PIK3R1 2601/4885PIK3CA 2667/4885
US-20160251332-A1 Herbicidal Compounds RDX, CBR3, DDT PDXK 523/4885PIK3R1 2982/4885PIK3CA 4154/4885
US-20160264547-A1 Herbicidal Compounds DDT, RDX, CBR3 PDXK 137/4885PIK3R1 1531/4885PIK3CA 3002/4885

“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.