SCHEMBL18158096

SCHEMBL18158096

NCCNc1ccccc1NC(Cc1ccccn1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 3/20 0.42
HRH1 P35367 2/20 0.40
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 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
SCHEMBL58388 0.84 HRH1 (0.46) HRH1ALDH1A1TSHRGRIN2DGRIN3B
SCHEMBL19214769 0.80 FERMT2 (0.42) FERMT2HRH1CA12CA3CA4
SCHEMBL18158080 0.79 CHRM2 (0.43) HRH1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL18157968 0.79 FDPS (0.41) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18158082 0.79 GRIN2D (0.38) HRH1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL18160882 0.76 MAOA (0.54) FERMT2HRH1CA12CA3CA4
SCHEMBL18158078 0.74 CHRM2 (0.44) HRH1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL18157959 0.74 HRH3 (0.51) HRH1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL18157958 0.72 FDPS (0.43) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL18158106 0.70 GRIN2D (0.42) HRH1ALDH1A1GRIN2DGRIN3BGRIN1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 FERMT2 2475/4885HRH1 1572/4885CA12 1016/4885

“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.