SCHEMBL3486088

SCHEMBL3486088

Nc1cn2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
GFER P55789 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
RCE1 Q9Y256 1/20 0.54
USP7 Q93009 1/20 0.47
MAPT P10636 1/20 0.42
BACE1 P56817 1/20 0.40
MCHR1 Q99705 6/20 0.38
AHR P35869 2/20 0.36
METTL3 Q86U44 1/20 0.36
NOS3 P29474 1/20 0.36

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
SCHEMBL16648467 0.78 KDM4E (0.54) PIK3CGKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL3340576 0.78 SMN1; SMN2 (0.54) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL12778283 0.78 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL19086907 0.78 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL8814197 0.78 MCHR1 (0.57) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL22499097 0.77 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL30828885 0.75 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL3485564 0.75 PIK3CG (0.60) PIK3CGALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21937449 0.74 MCHR1 (0.60) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL720360 0.74 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2NPC1HPGD

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-4217346-B1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-02 EP disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
US-20230391756-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2023-12-07 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20230391756-A1 NEW COMPOUND NLRP3, NLRP1, IL1R1 PIK3CG 4041/4885KDM4E 4394/4885ALDH1A1 3008/4885
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 PIK3CG 3281/4885KDM4E 898/4885ALDH1A1 794/4885
US-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 PIK3CG 3030/4885KDM4E 175/4885ALDH1A1 300/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 PIK3CG 3030/4885KDM4E 175/4885ALDH1A1 300/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 PIK3CG 3076/4885KDM4E 178/4885ALDH1A1 285/4885

“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.