SCHEMBL1461902

SCHEMBL1461902

c1ccc(-n2nccn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
PLD1 Q13393 1/20 0.47
POLB P06746 2/20 0.45
EP300 Q09472 1/20 0.45
KAT2B Q92831 1/20 0.45
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43

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
SCHEMBL17104893 0.80 RAB9A (0.55) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3390634 0.80 RAB9A (0.42) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12075261 0.78 POLB (0.50) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31436278 0.77 SMN1; SMN2 (0.42) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14668905 0.77 KDM4E (0.63) SMN1; SMN2POLBRAB9AKDM4ELMNA
SCHEMBL14416091 0.75 GRM5 (0.47) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23354966 0.74 ALKBH2 (0.51) SMN1; SMN2KDM4ELMNAP4HTMALKBH2
SCHEMBL12075529 0.72 NPC1 (0.38) SMN1; SMN2RAB9AKDM4EALDH1A1TDP1
SCHEMBL10930181 0.72 SMN1; SMN2 (0.47) SMN1; SMN2POLBEP300KAT2BRAB9A
SCHEMBL21353591 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638676-A Nitrogen heteroaromatic ring modified dibromo-1, 3-di (1-butylimidazol-3-yl) benzene ligand and preparation method thereof, iridium complex and organic electroluminescent device 清华大学深圳国际研究生院 2025-03-18 CN claimed
CN-119192180-A Iridium complex of [3,2,1-de ] acridine-5, 9-diketo quinine ligand based on aza-aromatic ring modification and organic electroluminescent device 清华大学深圳国际研究生院 2024-12-27 CN claimed
CN-115260201-A Iridium complex based on nitrogen heterocyclic aromatic ring modified indolo [3,2,1-jk ] carbazole main ligand and application thereof 马鞍山南大高新技术研究院有限公司 2022-11-01 CN claimed
US-20260085056-A1 OX1 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2026-03-26 US disclosed
CN-120590443-A 2N-type manganese complex and preparation method thereof, and preparation method of phenyl alkyl disiloxane 石河子大学 2025-09-05 CN disclosed
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2025-07-31 US disclosed
US-12331029-B2 Orexin 1 receptor antagonists NXERA PHARMA UK LIMITED (GB) 2025-06-17 US disclosed
CN-119638676-A Nitrogen heteroaromatic ring modified dibromo-1, 3-di (1-butylimidazol-3-yl) benzene ligand and preparation method thereof, iridium complex and organic electroluminescent device 清华大学深圳国际研究生院 2025-03-18 CN disclosed
US-12240825-B2 Oxexin 1 receptor antagonists NXERA PHARMA UK LIMITED (GB) 2025-03-04 US disclosed
CN-119192180-A Iridium complex of [3,2,1-de ] acridine-5, 9-diketo quinine ligand based on aza-aromatic ring modification and organic electroluminescent device 清华大学深圳国际研究生院 2024-12-27 CN disclosed
US-20240132475-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AS MALT-1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-04-25 US disclosed
EP-2475653-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS Bayer Pharma Aktiengesellschaft (DE) 2012-07-18 EP disclosed
US-8193223-B2 1,2,3-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-05 US disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 WO disclosed
US-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. 2010-01-07 US disclosed
EP-2097392-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP disclosed
WO-2008055933-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 WO disclosed
EP-1921072-A1 1,2,3-Triazole derivatives as cannabinoid-receptor modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed
EP-1921071-A1 1,2,3- triazole derivatives as sigma receptor inhibitors Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed
WO-2008022182-A1 METHODS FOR PROMOTING COUPLING BETWEEN BONE FORMATION AND RESORPTION THE UAB RESEARCH FOUNDATION (US) 2008-02-21 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 (6 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-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, OPRK1, OPRD1 SMN1; SMN2 3802/4885GRIN2D 152/4885GRIN3B 71/4885
US-12240825-B2 Oxexin 1 receptor antagonists HCRTR1, HCRTR2, OXTR SMN1; SMN2 1892/4885GRIN2D 178/4885GRIN3B 114/4885
US-20260085056-A1 OX1 RECEPTOR ANTAGONISTS CNR1, CNR2, OPRM1 SMN1; SMN2 1044/4885GRIN2D 187/4885GRIN3B 296/4885
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA1 SMN1; SMN2 3476/4885GRIN2D 1137/4885GRIN3B 803/4885
US-12331029-B2 Orexin 1 receptor antagonists HCRTR1, HCRTR2, NPY1R SMN1; SMN2 2255/4885GRIN2D 213/4885GRIN3B 156/4885
US-20240132475-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS AS MALT-1 INHIBITORS MALT1, FKBP1B, FKBP1A SMN1; SMN2 2342/4885GRIN2D 4505/4885GRIN3B 3784/4885

“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.