SCHEMBL15315965

SCHEMBL15315965

COc1ccc(-n2ccnc2-c2ccc(C)c(C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
MAPT P10636 2/20 0.43
PTGS2 P35354 2/20 0.42
DYRK1A Q13627 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL11771718 0.88 KDR (0.49) PTGS2DYRK1AKDM4EMEN1ALDH1A1
SCHEMBL28264653 0.83 MAPT (0.56) MAPTPTGS2DYRK1AKDM4EALDH1A1
SCHEMBL11088748 0.82 NPC1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28186123 0.81 GLA (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29975108 0.81 GLA (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28186197 0.81 KDR (0.55) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL3278138 0.81 MAPK9 (0.58) PTGS2DYRK1AKDM4EHPGDMAPK9
SCHEMBL11385870 0.81 KDR (0.58) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL3270536 0.81 MAPK9 (0.51) MAPTPTGS2DYRK1AKDM4EMEN1
SCHEMBL28600687 0.81 KMT2A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 US disclosed
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE NFXL1, NFE2L2, ZC3HAV1L TUBB4A 4323/4885TUBB 4195/4885TUBA3C 2987/4885

“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.