SCHEMBL58388

SCHEMBL58388

NCCNC(Cc1ccccn1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
FDPS P14324 1/20 0.40
PTPRA P18433 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LIN28A Q9H9Z2 1/20 0.38

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
SCHEMBL18158080 0.92 CHRM2 (0.43) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18158078 0.86 CHRM2 (0.44) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18157959 0.86 HRH3 (0.51) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18157958 0.85 FDPS (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18158096 0.84 FERMT2 (0.42) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18158106 0.82 GRIN2D (0.42) HRH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18157956 0.81 CHRM2 (0.47) HRH1HRH3ALDH1A1LMNACYP2C19
SCHEMBL18157952 0.81 FDPS (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18158015 0.81 SCN8A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18158082 0.80 GRIN2D (0.38) HRH1GRIN2DGRIN3BGRIN1GRIN2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 US disclosed
US-8129137-B2 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe KOREA UNIVERSITY INDUSTRIAL & ACADEMIC COLLABORATION FOUNDATION (KR) 2012-03-06 US disclosed
US-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SFC CO., LTD. (KR) 2009-11-19 US 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-20090286275-A1 Two-photon probe for real-time monitoring of intracellular free zinc ions, method for preparing the probe and method for real-time monitoring of intracellular free zinc ions using the probe SLC39A3, SLC30A7, SLC39A7 HRH1 209/4885GRIN2D 1902/4885GRIN3B 1524/4885
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 HRH1 1572/4885GRIN2D 3742/4885GRIN3B 3694/4885

“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.