SCHEMBL2173613

SCHEMBL2173613

FC(F)(F)c1ccc2c(Cl)nc(Cl)nc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 7/20 0.37
GAA P10253 3/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
NPC1 O15118 1/20 0.35
MAT2A P31153 3/20 0.33
NT5E P21589 1/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
S1PR2 O95136 1/20 0.33
NR2F2 P24468 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CYP1A2 P05177 2/20 0.32

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
SCHEMBL23066113 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL24287431 0.81 HRH4 (0.32) ALDH1A1KMT2AKDM4E
SCHEMBL13853252 0.76 PDE4A (0.36) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL1216985 0.74 IDO1 (0.34) ALDH1A1
SCHEMBL4972686 0.72 PTPN1 (0.53) TDP1CYP1A2CYP3A4
SCHEMBL3267354 0.71 ADORA1 (0.45) KMT2AMAPTGAARAB9AMEN1
SCHEMBL30098387 0.71 ADORA2A (0.33) HTT
SCHEMBL20660629 0.70 NT5E (0.37) MAT2ANT5ETRPV4
SCHEMBL2648851 0.69 RPS6KB1 (0.36) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL24834506 0.68 MAT2A (0.37) ALDH1A1KMT2AKDM4EMAPTGAA

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-4359413-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-05-01 EP disclosed
US-11926628-B2 Diacylglyercol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-03-12 US disclosed
US-20230116253-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-04-13 US disclosed
WO-2022271650-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
WO-2022271650-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
EP-2346859-A1 HETEROCYCLIC JAK KINASE INHIBITORS AstraZeneca AB (SE) 2011-07-27 EP disclosed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 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 (3 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-20230116253-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ALDH1A1 3992/4885KMT2A 2327/4885KDM4E 1476/4885
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS JAK2, JAK1, JAK3 ALDH1A1 2050/4885KMT2A 668/4885KDM4E 844/4885
US-11926628-B2 Diacylglyercol kinase modulating compounds DGKG, DGKB, DGKK ALDH1A1 3992/4885KMT2A 2327/4885KDM4E 1476/4885

“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.