SCHEMBL516458

SCHEMBL516458

c1cnc2c(c1)NCCN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
GSK3B P49841 1/20 0.39
OTUD7B Q6GQQ9 3/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 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
SCHEMBL29663838 0.91 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2GSK3BOTUD7BKDM4E
SCHEMBL458916 0.81
SCHEMBL29888739 0.81
SCHEMBL29561358 0.74 CYP1A2 (0.45) SMN1; SMN2CYP1A2GSK3BOTUD7BKDM4E
SCHEMBL3951636 0.74 GSK3B (0.46) SMN1; SMN2CYP1A2GSK3BOTUD7BMAPT
SCHEMBL7476995 0.72 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2GSK3BOTUD7BKDM4E
SCHEMBL7102226 0.72
Formic Acid SCHEMBL29523511 0.71 CYP1A2 (0.39) SMN1; SMN2CYP1A2GSK3BOTUD7BKDM4E
SCHEMBL902842 0.71 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2GSK3BOTUD7BKDM4E
SCHEMBL31713007 0.70 ALDH1A1 (0.36) SMN1; SMN2KDM4EMAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250338712-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2025-10-30 US claimed
WO-2023072270-A1 PROTAC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2023-05-04 WO claimed
CN-110167937-B Bicyclic bis-heteroaryl derivatives as modulators of protein aggregation UCB生物制药私人有限公司 2022-03-29 CN claimed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP claimed
EP-2602242-A1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-12 EP claimed
US-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-06 US claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP claimed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 WO claimed
JP-2007522200-A 2007-08-09 JP claimed
EP-1718311-A1 THERAPEUTIC COMBINATIONS OF ATYPICAL ANTIPSYCHOTICS WITH CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-11-08 EP claimed
US-7101869-B2 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER INC. (US) 2006-09-05 US claimed
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP claimed
WO-2005079807-A1 THERAPEUTIC COMBINATIONS OF ATYPICAL ANTIPSYCHOTICS WITH CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-09-01 WO claimed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 US claimed
EP-1097709-A2 Use of corticotropin releasing factor antagonists for treating syndrome X Pfizer Products Inc. (US) 2001-05-09 EP claimed
EP-0925298-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-30 EP claimed
WO-1998008846-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 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 (2 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-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 SMN1; SMN2 3395/4885CYP1A2 1220/4885GSK3B 4455/4885
US-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST TYR, NOX5, NOXO1 SMN1; SMN2 3290/4885CYP1A2 1493/4885GSK3B 4593/4885

“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.