SCHEMBL8050442

SCHEMBL8050442

c1ccc(-c2nc(NC3CCCCC3)nc(NC3CCCCC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.61
PDE5A O76074 2/20 0.61
IDH1 O75874 2/20 0.58
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPY5R Q15761 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
GBA1 P04062 3/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL20938766 1.00 ACP1 (0.61) ACP1PDE5AIDH1KDM4ENPC1
SCHEMBL18557173 1.00 ACP1 (0.61) ACP1PDE5AIDH1KDM4ENPC1
SCHEMBL20402847 1.00 ACP1 (0.61) ACP1PDE5AIDH1KDM4ENPC1
SCHEMBL15094375 0.91 NPY5R (0.58) ACP1PDE5AIDH1KDM4ERAB9A
SCHEMBL22271262 0.91 NPY5R (0.58) ACP1PDE5AIDH1KDM4ERAB9A
SCHEMBL24343055 0.90 IDH1 (0.73) ACP1PDE5AIDH1KDM4ENPC1
SCHEMBL18520785 0.90 IDH1 (0.73) ACP1PDE5AIDH1KDM4ENPC1
SCHEMBL19486676 0.90 IDH1 (0.73) ACP1PDE5AIDH1KDM4ENPC1
SCHEMBL18520532 0.90 IDH1 (0.73) ACP1PDE5AIDH1KDM4ENPC1
SCHEMBL16392996 0.90 IDH1 (0.73) ACP1PDE5AIDH1KDM4ENPC1

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-3019483-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2016-05-18 EP claimed
WO-2015003640-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-01-15 WO claimed
US-12433895-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2025-10-07 US disclosed
US-20240335448-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE PHARMARESROUCES (SHANGHAI) CO., LTD. (CN) 2024-10-10 US disclosed
US-11844758-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-12-19 US disclosed
US-20220354856-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2022-11-10 US disclosed
EP-3019483-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2016-05-18 EP disclosed
WO-2015003640-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-01-15 WO disclosed
US-6124381-A CURING ACCELERATOR IS A 2-((MONO- OR DI-ALKYL)AMINO, MORPHOLINO, PIPERIDINO, METHYL OR PHENYL)-4,6-SUBSTITUTED DIAMINO-1,3,5-TRIAZINE OF GIVEN FORMULA; POT LIFE, STORAGE STABILITY, AND WORKABILITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
EP-0834523-A1 EPOXY/ACID ANHYDRIDE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-04-08 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 (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-12433895-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT ACP1 356/4885PDE5A 2513/4885IDH1 172/4885
US-11844758-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT ACP1 356/4885PDE5A 2513/4885IDH1 172/4885
US-20240335448-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT ACP1 356/4885PDE5A 2513/4885IDH1 172/4885
US-20220354856-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT ACP1 356/4885PDE5A 2513/4885IDH1 172/4885

“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.