SCHEMBL4467216

SCHEMBL4467216

N#Cc1ccc2c(c1)[nH]c1c3[nH]c4cc(C#N)ccc4c3c3c4ccc(C#N)cc4[nH]c3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ AR P10275 1/20 0.44
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ ITK Q08881 2/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ IMPDH1 P20839 1/20 0.38
▸ FLT3 P36888 2/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ BTK Q06187 1/20 0.37

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
SCHEMBL3794091 0.85 AR (0.55) CDK2ARMAPK10RIPK1ITK
SCHEMBL21563919 0.82 NOS3 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL22566995 0.80 CDK4 (0.65) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6007662 0.80 CHUK (0.53) ARNOS3NOS1NOS2MAPK10
SCHEMBL20115884 0.73 CHUK (0.65) ARNOS3NOS1NOS2MAPK10
SCHEMBL20865126 0.72 CDK4 (0.63) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6009650 0.72 KIF11 (0.58) ARITKCHUK
SCHEMBL6008260 0.72 KIF11 (0.58) NOS3NOS1NOS2MAPK10RIPK1
SCHEMBL30414171 0.72 KIF11 (0.58) ARITKCHUK
SCHEMBL21563917 0.71 AR (0.53) CDK2ARNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585981-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2009-09-08 — — US disclosed
EP-1327632-B1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF MITSUBISHI RAYON CO (JP) 2008-12-03 — — EP disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 — — 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-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT CCNE2 1127/4885CDK4 1109/4885CCND1 473/4885

“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.

Send feedback